Single cell UOW¶
Leiden Cluster and DE Analysis¶
Project description: Initial datasets shared by Australian collaborators (Tassiani Sarretto, Helena Anastacio). Three conditions (stem cells, cells grown for 7 and 14 days). 12 replicates per condition.
Date: 2023-05-29
Config: /Users/alberto-mac/Documents/DA_ESPORTARE/LOCAL_EMBL_FILES/g_shared/shared/alberto/projects/spacem-reports/australia-project/initial_reports/config_full.yml
Notebook version: v0.2.0.post3+g966cb55.d20230408 (git-commit: 9f02807)
Report parameters¶
- Biological key:
growthConditions - Slide key:
slide - Process slides independently:
False - Replicate key:
replicate_nb_overall - Masking key:
mask_slide_TS36 - AnnData pattern:
/Users/alberto-mac/Documents/DA_ESPORTARE/LOCAL_EMBL_FILES/g_shared/shared/alberto/projects/spacem-reports/australia-project/initial_reports/anndatas/{slide}-well{well}-{row}{col}.h5ad - AnnData type:
AnnDatas downloaded from Metaspace - Metadata file path:
/Users/alberto-mac/Documents/DA_ESPORTARE/LOCAL_EMBL_FILES/g_shared/shared/alberto/projects/spacem-reports/australia-project/initial_reports/metadata_mod_full.csv
Leiden clustering (All Slides)¶
Leiden clustering¶
Leiden clustering vs condition (All Slides)¶
DE analysis plots (All Slides)¶
WARNING: saving figure to file /Users/alberto-mac/Documents/DA_ESPORTARE/LOCAL_EMBL_FILES/g_shared/shared/alberto/projects/spacem-reports/australia-project/initial_reports/plots/rank_genes_groups_leiden_DE_All Slides.pdf
Volcano plots (All Slides)¶
| ion | scores | logfoldchanges | pvals | pvals_adj | abs_scores | significance | pvals_adj_nlog10 | moleculeNames | moleculeIds | first_mol_name_short | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | C48H82NO8P+H | 145.559952 | 284.198730 | 0.000000 | 0.000000 | 145.559952 | True | 300.000000 | ["PC(14:1(9Z)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PC(16:1(6Z)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(16:1(9Z)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(16:2(9Z,12Z)/24:5(6Z,9Z,12Z,15Z,18Z))", "PC(16:2(9Z,12Z)/24:5(9Z,12Z,15Z,18Z,21Z))", "PC(18:1(6Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:2(9Z,11E)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(18:2(9Z,11E)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))", "PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))", "PC(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z))", "PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:3(11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(11Z,14Z,17Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(11Z,14Z,17Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))", "PC(22:3(10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))", "PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))", "PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,11E))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,11E))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(6Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11E))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))", "PC(24:5(6Z,9Z,12Z,15Z,18Z)/16:2(9Z,12Z))", "PC(24:5(9Z,12Z,15Z,18Z,21Z)/16:2(9Z,12Z))", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/16:1(6Z))", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/16:1(9Z))", "PC(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/14:1(9Z))", "PE-NMe(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PE-NMe(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))", "PE-NMe(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))", "PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))"] | ["HMDB0008090", "HMDB0008123", "HMDB0008154", "HMDB0008155", "HMDB0008186", "HMDB0008219", "HMDB0008347", "HMDB0008378", "HMDB0008379", "HMDB0008410", "HMDB0008411", "HMDB0008441", "HMDB0008442", "HMDB0008474", "HMDB0008475", "HMDB0008506", "HMDB0008632", "HMDB0008633", "HMDB0008664", "HMDB0008697", "HMDB0008728", "HMDB0008729", "HMDB0113334", "HMDB0113361", "HMDB0113362", "HMDB0113389", "HMDB0113417", "HMDB0113501", "HMDB0113582", "HMDB0113607", "HMDB0113608", "HMDB0113633", "HMDB0113660", "HMDB0113686", "SLM:000007958", "SLM:000008031", "SLM:000008350", "SLM:000008361", "SLM:000008428", "SLM:000008584", "SLM:000010450", "SLM:000010457", "SLM:000010489", "SLM:000010503", "SLM:000010575", "SLM:000010580", "SLM:000010613", "SLM:000010691", "SLM:000010732", "SLM:000010804", "SLM:000010818", "SLM:000010895", "SLM:000010923", "SLM:000011044", "SLM:000011117", "SLM:000011192", "SLM:000011286", "SLM:000011291", "SLM:000011357", "SLM:000011368", "SLM:000011452", "SLM:000011560", "SLM:000011601", "SLM:000011669", "SLM:000011680", "SLM:000011746", "SLM:000011755", "SLM:000011843", "SLM:000011993", "SLM:000012066", "SLM:000012078", "SLM:000012141", "SLM:000012150", "SLM:000012223", "SLM:000012298", "SLM:000012386"] | C48H82NO8P+H (PC(14:1(9Z)/26:6(8Z,11Z,1...) |
| 1 | C46H80NO8P+H | 136.025482 | 303.029541 | 0.000000 | 0.000000 | 136.025482 | True | 300.000000 | ["PC(2:0/36:6(18Z,21Z,24Z,27Z,30Z,33Z))", "PC(4:0/34:6(16Z,19Z,22Z,25Z,28Z,31Z))", "PC(8:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))", "PC(10:0/28:6(10Z,13Z,16Z,19Z,22Z,25Z))", "PC(12:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PC(14:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(14:1(9Z)/24:5(6Z,9Z,12Z,15Z,18Z))", "PC(14:1(9Z)/24:5(9Z,12Z,15Z,18Z,21Z))", "PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(16:1(6Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(16:1(6Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(18:2(9Z,11E)/20:4(5Z,8Z,11Z,14Z))", "PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))", "PC(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))", "PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))", "PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))", "PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))", "PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))", "PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))", "PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))", "PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))", "PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))", "PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))", "PC(20:3(11Z,14Z,17Z)/18:3(6Z,9Z,12Z))", "PC(20:3(11Z,14Z,17Z)/18:3(9Z,12Z,15Z))", "PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,11E))", "PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))", "PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,11E))", "PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(6Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11E))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))", "PC(22:4(7Z,10Z,13Z,16Z)/16:2(9Z,12Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(6Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(6Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/14:0)", "PC(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/12:0)", "PC(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/10:0)", "PC(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/8:0)", "PC(34:6(16Z,19Z,22Z,25Z,28Z,31Z)/4:0)", "PC(36:6(18Z,21Z,24Z,27Z,30Z,33Z)/2:0)", "PE(13:0/28:6(10Z,13Z,16Z,19Z,22Z,25Z))", "PE(15:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PE(17:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)", "PE(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/15:0)", "PE(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/13:0)", "PE-NMe(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PE-NMe(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))", "PE-NMe(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PE-NMe(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))", "PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))", "PE-NMe(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))", "PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)"] | ["HMDB0007991", "HMDB0008022", "HMDB0008024", "HMDB0008083", "HMDB0008116", "HMDB0008147", "HMDB0008148", "HMDB0008178", "HMDB0008179", "HMDB0008211", "HMDB0008212", "HMDB0008243", "HMDB0008339", "HMDB0008370", "HMDB0008371", "HMDB0008403", "HMDB0008404", "HMDB0008434", "HMDB0008467", "HMDB0008498", "HMDB0008499", "HMDB0008660", "HMDB0008693", "HMDB0008725", "HMDB0113107", "HMDB0113132", "HMDB0113133", "HMDB0113159", "HMDB0113160", "HMDB0113187", "HMDB0113272", "HMDB0113327", "HMDB0113354", "HMDB0113355", "HMDB0113381", "HMDB0113382", "HMDB0113409", "HMDB0113410", "HMDB0113436", "HMDB0113464", "HMDB0113492", "HMDB0113574", "HMDB0113600", "HMDB0113625", "HMDB0113626", "HMDB0113652", "HMDB0113653", "HMDB0113678", "SLM:000000805", "SLM:000007821", "SLM:000008354", "SLM:000008366", "SLM:000008432", "SLM:000008586", "SLM:000008702", "SLM:000009637", "SLM:000009952", "SLM:000010567", "SLM:000010581", "SLM:000010608", "SLM:000010615", "SLM:000010647", "SLM:000010661", "SLM:000010733", "SLM:000010738", "SLM:000010839", "SLM:000010929", "SLM:000011048", "SLM:000011114", "SLM:000011122", "SLM:000011279", "SLM:000011369", "SLM:000011457", "SLM:000011602", "SLM:000011607", "SLM:000011673", "SLM:000011684", "SLM:000011748", "SLM:000012220", "SLM:000012229", "SLM:000012379", "SLM:000012391", "SLM:000012524", "SLM:000012599", "SLM:000012655", "SLM:000012859", "SLM:000013600", "SLM:000013943", "SLM:000030183", "SLM:000030258", "SLM:000030496", "SLM:000031718", "SLM:000032935", "SLM:000033827", "SLM:000033887", "SLM:000035512", "SLM:000036148", "SLM:000036497"] | C46H80NO8P+H (PC(2:0/36:6(18Z,21Z,24Z,2...) |
| 2 | C44H80NO8P+Na | 126.825050 | 180.478424 | 0.000000 | 0.000000 | 126.825050 | True | 300.000000 | ["PC(2:0/34:4(19Z,22Z,25Z,28Z))", "PC(4:0/32:4(17Z,20Z,23Z,26Z))", "PC(6:0/30:4(15Z,18Z,21Z,24Z))", "PC(12:0/24:4(9Z,12Z,15Z,18Z))", "PC(14:0/22:4(7Z,10Z,13Z,16Z))", "PC(14:1(9Z)/22:3(10Z,13Z,16Z))", "PC(16:0/20:4(5Z,8Z,11Z,14Z))", "PC(16:0/20:4(8Z,11Z,14Z,17Z))", "PC(16:1(6Z)/20:3(8Z,11Z,14Z))", "PC(16:1(6Z)/20:3(11Z,14Z,17Z))", "PC(16:1(9Z)/20:3(5Z,8Z,11Z))", "PC(16:1(9Z)/20:3(8Z,11Z,14Z))", "PC(18:0/18:4(6Z,9Z,12Z,15Z))", "PC(18:1(6Z)/18:3(9Z,12Z,15Z))", "PC(18:1(9Z)/18:3(6Z,9Z,12Z))", "PC(18:1(9Z)/18:3(9Z,12Z,15Z))", "PC(18:1(11E)/18:3(6Z,9Z,12Z))", "PC(18:1(11E)/18:3(9Z,12Z,15Z))", "PC(18:1(11Z)/18:3(6Z,9Z,12Z))", "PC(18:1(11Z)/18:3(9Z,12Z,15Z))", "PC(18:2(9Z,11E)/18:2(9Z,11E))", "PC(18:2(9Z,12Z)/18:2(9Z,11E))", "PC(18:2(9Z,12Z)/18:2(9Z,12Z))", "PC(18:3(6Z,9Z,12Z)/18:1(6Z))", "PC(18:3(6Z,9Z,12Z)/18:1(9Z))", "PC(18:3(6Z,9Z,12Z)/18:1(11E))", "PC(18:3(6Z,9Z,12Z)/18:1(11Z))", "PC(18:3(9Z,12Z,15Z)/18:1(6Z))", "PC(18:3(9Z,12Z,15Z)/18:1(9Z))", "PC(18:3(9Z,12Z,15Z)/18:1(11E))", "PC(18:3(9Z,12Z,15Z)/18:1(11Z))", "PC(18:4(6Z,9Z,12Z,15Z)/18:0)", "PC(20:2(11Z,14Z)/16:2(9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/16:1(9Z))", "PC(20:3(8Z,11Z,14Z)/16:1(6Z))", "PC(20:3(8Z,11Z,14Z)/16:1(9Z))", "PC(20:3(11Z,14Z,17Z)/16:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/16:0)", "PC(20:4(8Z,11Z,14Z,17Z)/16:0)", "PC(22:4(7Z,10Z,13Z,16Z)/14:0)", "PC(24:4(9Z,12Z,15Z,18Z)/12:0)", "PC(26:4(11Z,14Z,17Z,20Z)/10:0)", "PC(28:4(13Z,16Z,19Z,22Z)/8:0)", "PC(30:4(15Z,18Z,21Z,24Z)/6:0)", "PC(32:4(17Z,20Z,23Z,26Z)/4:0)", "PC(34:4(19Z,22Z,25Z,28Z)/2:0)", "PE(13:0/26:4(11Z,14Z,17Z,20Z))", "PE(15:0/24:4(9Z,12Z,15Z,18Z))", "PE(17:0/22:4(7Z,10Z,13Z,16Z))", "PE(18:4(6Z,9Z,12Z,15Z)/21:0)", "PE(19:0/20:4(8Z,11Z,14Z,17Z))", "PE(20:4(5Z,8Z,11Z,14Z)/19:0)", "PE(22:4(7Z,10Z,13Z,16Z)/17:0)", "PE(24:4(9Z,12Z,15Z,18Z)/15:0)", "PE(26:4(11Z,14Z,17Z,20Z)/13:0)", "PE(36:4(21Z,24Z,27Z,30Z)/3:0)", "PE-NMe2(15:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe2(22:4(7Z,10Z,13Z,16Z)/15:0)", "PE-NMe(16:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(18:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(18:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe(18:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(18:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:2(9Z,12Z)/20:2(11Z,14Z))", "PE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z))", "PE-NMe(18:3(9Z,12Z,15Z)/20:1(11Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:0)", "PE-NMe(20:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(20:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe(20:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe(20:2(11Z,14Z)/18:2(9Z,12Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:1(9Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:1(11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/18:1(9Z))", "PE-NMe(20:3(8Z,11Z,14Z)/18:1(11Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/18:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/18:0)", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/16:0)"] | ["HMDB0007889", "HMDB0007982", "HMDB0007983", "HMDB0008013", "HMDB0008014", "HMDB0008042", "HMDB0008073", "HMDB0008074", "HMDB0008106", "HMDB0008107", "HMDB0008138", "HMDB0008169", "HMDB0008170", "HMDB0008202", "HMDB0008203", "HMDB0008234", "HMDB0008365", "HMDB0008398", "HMDB0008429", "HMDB0008462", "HMDB0008623", "HMDB0113055", "HMDB0113098", "HMDB0113099", "HMDB0113123", "HMDB0113124", "HMDB0113150", "HMDB0113151", "HMDB0113178", "HMDB0113205", "HMDB0113234", "HMDB0113262", "HMDB0113290", "HMDB0113317", "HMDB0113318", "HMDB0113345", "HMDB0113372", "HMDB0113373", "HMDB0113400", "HMDB0113401", "HMDB0113427", "HMDB0113455", "HMDB0113595", "HMDB0113934", "HMDB0114497", "SLM:000000793", "SLM:000008038", "SLM:000008050", "SLM:000008295", "SLM:000008369", "SLM:000008446", "SLM:000008591", "SLM:000008603", "SLM:000009018", "SLM:000009488", "SLM:000009795", "SLM:000010110", "SLM:000010992", "SLM:000011003", "SLM:000011042", "SLM:000011056", "SLM:000011086", "SLM:000011127", "SLM:000011210", "SLM:000011392", "SLM:000011620", "SLM:000011674", "SLM:000011687", "SLM:000011931", "SLM:000011951", "SLM:000011958", "SLM:000011991", "SLM:000012156", "SLM:000012304", "SLM:000012316", "SLM:000012342", "SLM:000012469", "SLM:000012526", "SLM:000012601", "SLM:000012865", "SLM:000013252", "SLM:000013296", "SLM:000013950", "SLM:000030501", "SLM:000030658", "SLM:000030732", "SLM:000031258", "SLM:000031725", "SLM:000032703", "SLM:000033172", "SLM:000033404", "SLM:000033800", "SLM:000034361", "SLM:000035834", "SLM:000036154"] | C44H80NO8P+Na (PC(2:0/34:4(19Z,22Z,25Z,2...) |
| 3 | C46H84NO8P+Na | 115.394447 | 241.809586 | 0.000000 | 0.000000 | 115.394447 | True | 300.000000 | ["PC(2:0/36:4(21Z,24Z,27Z,30Z))", "PC(4:0/34:4(19Z,22Z,25Z,28Z))", "PC(6:0/32:4(17Z,20Z,23Z,26Z))", "PC(10:0/28:4(13Z,16Z,19Z,22Z))", "PC(12:0/26:4(11Z,14Z,17Z,20Z))", "PC(14:0/24:4(9Z,12Z,15Z,18Z))", "PC(16:0/22:4(7Z,10Z,13Z,16Z))", "PC(16:1(9Z)/22:3(10Z,13Z,16Z))", "PC(16:2(9Z,12Z)/22:2(13Z,16Z))", "PC(18:0/20:4(5Z,8Z,11Z,14Z))", "PC(18:0/20:4(8Z,11Z,14Z,17Z))", "PC(18:1(6Z)/20:3(8Z,11Z,14Z))", "PC(18:1(9Z)/20:3(5Z,8Z,11Z))", "PC(18:1(9Z)/20:3(8Z,11Z,14Z))", "PC(18:1(9Z)/20:3(11Z,14Z,17Z))", "PC(18:1(11E)/20:3(8Z,11Z,14Z))", "PC(18:1(11Z)/20:3(5Z,8Z,11Z))", "PC(18:1(11Z)/20:3(8Z,11Z,14Z))", "PC(18:1(11Z)/20:3(11Z,14Z,17Z))", "PC(18:2(9Z,11E)/20:2(11Z,14Z))", "PC(18:2(9Z,12Z)/20:2(11Z,14Z))", "PC(18:3(6Z,9Z,12Z)/20:1(11Z))", "PC(18:3(9Z,12Z,15Z)/20:1(11Z))", "PC(18:4(6Z,9Z,12Z,15Z)/20:0)", "PC(20:0/18:4(6Z,9Z,12Z,15Z))", "PC(20:1(11Z)/18:3(6Z,9Z,12Z))", "PC(20:1(11Z)/18:3(9Z,12Z,15Z))", "PC(20:2(11Z,14Z)/18:2(9Z,11E))", "PC(20:2(11Z,14Z)/18:2(9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/18:1(9Z))", "PC(20:3(5Z,8Z,11Z)/18:1(11Z))", "PC(20:3(8Z,11Z,14Z)/18:1(9Z))", "PC(20:3(8Z,11Z,14Z)/18:1(11E))", "PC(20:3(8Z,11Z,14Z)/18:1(11Z))", "PC(20:3(11Z,14Z,17Z)/18:1(6Z))", "PC(20:3(11Z,14Z,17Z)/18:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/18:0)", "PC(20:4(8Z,11Z,14Z,17Z)/18:0)", "PC(22:3(10Z,13Z,16Z)/16:1(6Z))", "PC(22:3(10Z,13Z,16Z)/16:1(9Z))", "PC(22:4(7Z,10Z,13Z,16Z)/16:0)", "PC(24:4(9Z,12Z,15Z,18Z)/14:0)", "PC(26:4(11Z,14Z,17Z,20Z)/12:0)", "PC(32:4(17Z,20Z,23Z,26Z)/6:0)", "PC(34:4(19Z,22Z,25Z,28Z)/4:0)", "PE(3:0/38:4(23Z,26Z,29Z,32Z))", "PE(13:0/28:4(13Z,16Z,19Z,22Z))", "PE(15:0/26:4(11Z,14Z,17Z,20Z))", "PE(17:0/24:4(9Z,12Z,15Z,18Z))", "PE(19:0/22:4(7Z,10Z,13Z,16Z))", "PE(20:4(5Z,8Z,11Z,14Z)/21:0)", "PE(21:0/20:4(5Z,8Z,11Z,14Z))", "PE(21:0/20:4(8Z,11Z,14Z,17Z))", "PE(22:4(7Z,10Z,13Z,16Z)/19:0)", "PE(24:4(9Z,12Z,15Z,18Z)/17:0)", "PE(28:4(13Z,16Z,19Z,22Z)/13:0)", "PE(38:4(23Z,26Z,29Z,32Z)/3:0)", "PE-NMe(18:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:2(9Z,12Z)/22:2(13Z,16Z))", "PE-NMe(18:3(6Z,9Z,12Z)/22:1(13Z))", "PE-NMe(18:3(9Z,12Z,15Z)/22:1(13Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:0)", "PE-NMe(20:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(20:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(20:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(20:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(20:2(11Z,14Z)/20:2(11Z,14Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:1(11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/20:1(11Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/20:0)", "PE-NMe(22:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(22:1(13Z)/18:3(6Z,9Z,12Z))", "PE-NMe(22:1(13Z)/18:3(9Z,12Z,15Z))", "PE-NMe(22:2(13Z,16Z)/18:2(9Z,12Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:0)"] | ["HMDB0007988", "HMDB0008048", "HMDB0008049", "HMDB0008079", "HMDB0008080", "HMDB0008112", "HMDB0008113", "HMDB0008145", "HMDB0008176", "HMDB0008209", "HMDB0008241", "HMDB0008273", "HMDB0008304", "HMDB0008305", "HMDB0008336", "HMDB0008367", "HMDB0008368", "HMDB0008400", "HMDB0008401", "HMDB0008431", "HMDB0008464", "HMDB0008626", "HMDB0113104", "HMDB0113186", "HMDB0113213", "HMDB0113242", "HMDB0113270", "HMDB0113296", "HMDB0113297", "HMDB0113323", "HMDB0113324", "HMDB0113351", "HMDB0113379", "HMDB0113407", "HMDB0113434", "HMDB0113462", "HMDB0113519", "HMDB0113544", "HMDB0113545", "HMDB0113571", "HMDB0113597", "SLM:000007960", "SLM:000007974", "SLM:000008046", "SLM:000008297", "SLM:000008356", "SLM:000008370", "SLM:000008442", "SLM:000008447", "SLM:000008512", "SLM:000008524", "SLM:000008558", "SLM:000009804", "SLM:000010111", "SLM:000011009", "SLM:000011206", "SLM:000011383", "SLM:000011635", "SLM:000011642", "SLM:000011719", "SLM:000011945", "SLM:000012043", "SLM:000012114", "SLM:000012187", "SLM:000012271", "SLM:000012528", "SLM:000012605", "SLM:000012670", "SLM:000012819", "SLM:000012931", "SLM:000013249", "SLM:000013300", "SLM:000013549", "SLM:000013560", "SLM:000013957", "SLM:000030510", "SLM:000031369", "SLM:000031443", "SLM:000031732", "SLM:000032861", "SLM:000033167", "SLM:000033804", "SLM:000034307", "SLM:000034353", "SLM:000035432", "SLM:000035443", "SLM:000035526", "SLM:000035831", "SLM:000036108", "SLM:000036214", "SLM:000036512"] | C46H84NO8P+Na (PC(2:0/36:4(21Z,24Z,27Z,3...) |
| 4 | C45H82NO8P+H | 104.469254 | 100.532578 | 0.000000 | 0.000000 | 104.469254 | True | 300.000000 | ["1-Octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine", "PC(3:0/34:4(19Z,22Z,25Z,28Z))", "PC(13:0/24:4(9Z,12Z,15Z,18Z))", "PC(15:0/22:4(7Z,10Z,13Z,16Z))", "PC(17:0/20:4(5Z,8Z,11Z,14Z))", "PC(17:0/20:4(8Z,11Z,14Z,17Z))", "PC(18:4(6Z,9Z,12Z,15Z)/19:0)", "PC(20:4(5Z,8Z,11Z,14Z)/17:0)", "PC(20:4(8Z,11Z,14Z,17Z)/17:0)", "PC(22:4(7Z,10Z,13Z,16Z)/15:0)", "PC(24:4(9Z,12Z,15Z,18Z)/13:0)", "PC(34:4(19Z,22Z,25Z,28Z)/3:0)", "PE(2:0/38:4(23Z,26Z,29Z,32Z))", "PE(4:0/36:4(21Z,24Z,27Z,30Z))", "PE(6:0/34:4(19Z,22Z,25Z,28Z))", "PE(8:0/32:4(17Z,20Z,23Z,26Z))", "PE(10:0/30:4(15Z,18Z,21Z,24Z))", "PE(12:0/28:4(13Z,16Z,19Z,22Z))", "PE(14:0/26:4(11Z,14Z,17Z,20Z))", "PE(16:0/24:4(9Z,12Z,15Z,18Z))", "PE(18:0/22:4(7Z,10Z,13Z,16Z))", "PE(18:1(6Z)/22:3(10Z,13Z,16Z))", "PE(18:1(9Z)/22:3(10Z,13Z,16Z))", "PE(18:1(11E)/22:3(10Z,13Z,16Z))", "PE(18:1(11Z)/22:3(10Z,13Z,16Z))", "PE(18:2(9Z,12Z)/22:2(13Z,16Z))", "PE(18:3(6Z,9Z,12Z)/22:1(13Z))", "PE(18:3(9Z,12Z,15Z)/22:1(13Z))", "PE(18:4(6Z,9Z,12Z,15Z)/22:0)", "PE(20:0/20:4(5Z,8Z,11Z,14Z))", "PE(20:0/20:4(8Z,11Z,14Z,17Z))", "PE(20:1(11Z)/20:3(5Z,8Z,11Z))", "PE(20:1(11Z)/20:3(8Z,11Z,14Z))", "PE(20:2(11Z,14Z)/20:2(11Z,14Z))", "PE(20:3(5Z,8Z,11Z)/20:1(11Z))", "PE(20:3(8Z,11Z,14Z)/20:1(11Z))", "PE(20:3(11Z,14Z,17Z)/20:1(11Z))", "PE(20:4(5Z,8Z,11Z,14Z)/20:0)", "PE(20:4(8Z,11Z,14Z,17Z)/20:0)", "PE(22:0/18:4(6Z,9Z,12Z,15Z))", "PE(22:1(13Z)/18:3(6Z,9Z,12Z))", "PE(22:1(13Z)/18:3(9Z,12Z,15Z))", "PE(22:2(13Z,16Z)/18:2(9Z,11E))", "PE(22:2(13Z,16Z)/18:2(9Z,12Z))", "PE(22:3(10Z,13Z,16Z)/18:1(6Z))", "PE(22:3(10Z,13Z,16Z)/18:1(9Z))", "PE(22:3(10Z,13Z,16Z)/18:1(11E))", "PE(22:3(10Z,13Z,16Z)/18:1(11Z))", "PE(22:4(7Z,10Z,13Z,16Z)/18:0)", "PE(24:4(9Z,12Z,15Z,18Z)/16:0)", "PE(26:4(11Z,14Z,17Z,20Z)/14:0)", "PE(28:4(13Z,16Z,19Z,22Z)/12:0)", "PE(30:4(15Z,18Z,21Z,24Z)/10:0)", "PE(32:4(17Z,20Z,23Z,26Z)/8:0)", "PE(34:4(19Z,22Z,25Z,28Z)/6:0)", "PE-NMe2(16:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe2(18:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe2(18:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe2(18:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe2(18:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe2(18:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe2(18:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe2(18:2(9Z,12Z)/20:2(11Z,14Z))", "PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))", "PE-NMe2(18:3(9Z,12Z,15Z)/20:1(11Z))", "PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:0)", "PE-NMe2(20:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe2(20:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe2(20:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe2(20:2(11Z,14Z)/18:2(9Z,12Z))", "PE-NMe2(20:3(5Z,8Z,11Z)/18:1(9Z))", "PE-NMe2(20:3(5Z,8Z,11Z)/18:1(11Z))", "PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z))", "PE-NMe2(20:3(8Z,11Z,14Z)/18:1(11Z))", "PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:0)", "PE-NMe2(20:4(8Z,11Z,14Z,17Z)/18:0)", "PE-NMe2(22:4(7Z,10Z,13Z,16Z)/16:0)"] | ["C21481", "HMDB0007955", "HMDB0008625", "HMDB0009009", "HMDB0009107", "HMDB0009139", "HMDB0009172", "HMDB0009204", "HMDB0009234", "HMDB0009235", "HMDB0009265", "HMDB0009266", "HMDB0009297", "HMDB0009329", "HMDB0009362", "HMDB0009394", "HMDB0009427", "HMDB0009492", "HMDB0009523", "HMDB0009524", "HMDB0009555", "HMDB0009585", "HMDB0113956", "HMDB0113999", "HMDB0114000", "HMDB0114024", "HMDB0114025", "HMDB0114051", "HMDB0114052", "HMDB0114079", "HMDB0114107", "HMDB0114136", "HMDB0114164", "HMDB0114192", "HMDB0114219", "HMDB0114220", "HMDB0114247", "HMDB0114274", "HMDB0114275", "HMDB0114302", "HMDB0114303", "HMDB0114329", "HMDB0114357", "HMDB0114498", "SLM:000008128", "SLM:000008832", "SLM:000009309", "SLM:000010126", "SLM:000010703", "SLM:000010749", "SLM:000010990", "SLM:000011329", "SLM:000011389", "SLM:000011572", "SLM:000011873", "SLM:000013085", "SLM:000013096", "SLM:000013713", "SLM:000013776", "SLM:000014114", "SLM:000030340", "SLM:000030347", "SLM:000030380", "SLM:000030394", "SLM:000030419", "SLM:000030730", "SLM:000030741", "SLM:000030939", "SLM:000030972", "SLM:000031427", "SLM:000031493", "SLM:000031563", "SLM:000031575", "SLM:000031899", "SLM:000032227", "SLM:000032539", "SLM:000033166", "SLM:000033436", "SLM:000033579", "SLM:000033806", "SLM:000034035", "SLM:000034355", "SLM:000034384", "SLM:000034541", "SLM:000034685", "SLM:000034954", "SLM:000035031", "SLM:000035100", "SLM:000035252", "SLM:000035353", "SLM:000035683", "SLM:000035736", "SLM:000036048", "SLM:000036345"] | C45H82NO8P+H (1-Octadecanoyl-2-(7Z,10Z,...) |
| 5 | C45H79O8P+NH4 | 104.469254 | 100.532578 | 0.000000 | 0.000000 | 104.469254 | True | 300.000000 | ["PA(4:0/38:5(20Z,23Z,26Z,29Z,32Z))", "PA(4:0/38:5(23Z,26Z,29Z,32Z,35Z))", "PA(6:0/36:5(18Z,21Z,24Z,27Z,30Z))", "PA(6:0/36:5(21Z,24Z,27Z,30Z,33Z))", "PA(8:0/34:5(16Z,19Z,22Z,25Z,28Z))", "PA(10:0/32:5(14Z,17Z,20Z,23Z,26Z))", "PA(10:0/32:5(17Z,20Z,23Z,26Z,29Z))", "PA(12:0/30:5(12Z,15Z,18Z,21Z,24Z))", "PA(14:0/28:5(10Z,13Z,16Z,19Z,22Z))", "PA(14:0/28:5(13Z,16Z,19Z,22Z,25Z))", "PA(16:0/26:5(8Z,11Z,14Z,17Z,20Z))", "PA(16:0/26:5(11Z,14Z,17Z,20Z,23Z))", "PA(16:1(6Z)/26:4(11Z,14Z,17Z,20Z))", "PA(16:1(9Z)/26:4(11Z,14Z,17Z,20Z))", "PA(18:0/24:5(9Z,12Z,15Z,18Z,21Z))", "PA(18:1(6Z)/24:4(9Z,12Z,15Z,18Z))", "PA(18:1(11E)/24:4(9Z,12Z,15Z,18Z))", "PA(18:1(11Z)/24:4(9Z,12Z,15Z,18Z))", "PA(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))", "PA(20:0/22:5(4Z,7Z,10Z,13Z,16Z))", "PA(20:0/22:5(7Z,10Z,13Z,16Z,19Z))", "PA(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))", "PA(20:2(11Z,14Z)/22:3(10Z,13Z,16Z))", "PA(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))", "PA(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))", "PA(20:3(11Z,14Z,17Z)/22:2(13Z,16Z))", "PA(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))", "PA(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))", "PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)", "PA(22:0/20:5(5Z,8Z,11Z,14Z,17Z))", "PA(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))", "PA(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))", "PA(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))", "PA(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))", "PA(22:2(13Z,16Z)/20:3(11Z,14Z,17Z))", "PA(22:3(10Z,13Z,16Z)/20:2(11Z,14Z))", "PA(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))", "PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)", "PA(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)", "PA(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))", "PA(24:4(9Z,12Z,15Z,18Z)/18:1(6Z))", "PA(24:4(9Z,12Z,15Z,18Z)/18:1(9Z))", "PA(24:4(9Z,12Z,15Z,18Z)/18:1(11Z))", "PA(24:5(6Z,9Z,12Z,15Z,18Z)/18:0)", "PA(24:5(9Z,12Z,15Z,18Z,21Z)/18:0)", "PA(26:4(11Z,14Z,17Z,20Z)/16:1(6Z))", "PA(26:4(11Z,14Z,17Z,20Z)/16:1(9Z))", "PA(26:5(11Z,14Z,17Z,20Z,23Z)/16:0)", "PA(28:4(13Z,16Z,19Z,22Z)/14:1(9Z))", "PA(28:5(13Z,16Z,19Z,22Z,25Z)/14:0)", "PA(30:5(12Z,15Z,18Z,21Z,24Z)/12:0)", "PA(30:5(15Z,18Z,21Z,24Z,27Z)/12:0)", "PA(32:5(17Z,20Z,23Z,26Z,29Z)/10:0)", "PA(34:5(16Z,19Z,22Z,25Z,28Z)/8:0)", "PA(34:5(19Z,22Z,25Z,28Z,31Z)/8:0)", "PA(36:5(21Z,24Z,27Z,30Z,33Z)/6:0)", "PA(38:5(20Z,23Z,26Z,29Z,32Z)/4:0)"] | ["HMDB0115053", "HMDB0115086", "HMDB0115112", "HMDB0115138", "HMDB0115163", "HMDB0115190", "HMDB0115215", "HMDB0115258", "HMDB0115284", "HMDB0115285", "HMDB0115310", "HMDB0115335", "HMDB0115361", "HMDB0115466", "HMDB0115580", "HMDB0115595", "HMDB0116702", "HMDB0116709", "SLM:000020942", "SLM:000021065", "SLM:000021239", "SLM:000021292", "SLM:000021306", "SLM:000021345", "SLM:000021411", "SLM:000021532", "SLM:000021618", "SLM:000021787", "SLM:000021959", "SLM:000022019", "SLM:000022048", "SLM:000022156", "SLM:000022167", "SLM:000022419", "SLM:000022733", "SLM:000023061", "SLM:000023215", "SLM:000023605", "SLM:000023717", "SLM:000023928", "SLM:000024099", "SLM:000024223", "SLM:000024314", "SLM:000024339", "SLM:000024584", "SLM:000024662", "SLM:000024875", "SLM:000024893", "SLM:000024926", "SLM:000024939", "SLM:000025203", "SLM:000025609", "SLM:000025680", "SLM:000025771", "SLM:000025826", "SLM:000025937", "SLM:000026212", "SLM:000026253", "SLM:000026310", "SLM:000026567", "SLM:000026911", "SLM:000026924", "SLM:000496699", "SLM:000496702", "SLM:000496705", "SLM:000496708", "SLM:000497092", "SLM:000497250"] | C45H79O8P+NH4 (PA(4:0/38:5(20Z,23Z,26Z,2...) |
| 7 | C25H50NO8P+H | -100.373192 | -182.748062 | 0.000000 | 0.000000 | 100.373192 | True | 300.000000 | ["PC(2:0/15:0)", "PC(3:0/14:0)", "PC(4:0/13:0)", "PC(13:0/4:0)", "PC(14:0/3:0)", "PC(15:0/2:0)", "PE(2:0/18:0)", "PE(3:0/17:0)", "PE(4:0/16:0)", "PE(6:0/14:0)", "PE(8:0/12:0)", "PE(10:0/10:0)", "PE(12:0/8:0)", "PE(14:0/6:0)", "PE(16:0/4:0)", "PE(17:0/3:0)", "PE(18:0/2:0)"] | ["SLM:000008136", "SLM:000008846", "SLM:000012510", "SLM:000012570", "SLM:000012580", "SLM:000012654", "SLM:000013727", "SLM:000013823", "SLM:000013979", "SLM:000014122", "SLM:000031755", "SLM:000034902", "SLM:000034992", "SLM:000035067", "SLM:000035309", "SLM:000035548", "SLM:000035688", "SLM:000035783", "SLM:000036003", "SLM:000036086", "SLM:000036200", "SLM:000036247", "SLM:000036408"] | C25H50NO8P+H (PC(2:0/15:0)) |
| 6 | C25H47O8P+NH4 | -100.373192 | -182.748062 | 0.000000 | 0.000000 | 100.373192 | True | 300.000000 | ["PA(2:0/20:1(11Z))", "PA(4:0/18:1(6Z))", "PA(4:0/18:1(9Z))", "PA(4:0/18:1(11E))", "PA(4:0/18:1(11Z))", "PA(6:0/16:1(6Z))", "PA(6:0/16:1(9Z))", "PA(8:0/14:1(9Z))", "PA(14:1(9Z)/8:0)", "PA(16:1(6Z)/6:0)", "PA(16:1(9Z)/6:0)", "PA(18:1(6Z)/4:0)", "PA(18:1(9Z)/4:0)", "PA(18:1(11E)/4:0)", "PA(18:1(11Z)/4:0)", "PA(20:1(11Z)/2:0)"] | ["SLM:000021073", "SLM:000021546", "SLM:000021626", "SLM:000024161", "SLM:000024231", "SLM:000025265", "SLM:000025331", "SLM:000025416", "SLM:000025509", "SLM:000025580", "SLM:000025587", "SLM:000025620", "SLM:000025634", "SLM:000026322", "SLM:000026336", "SLM:000026652"] | C25H47O8P+NH4 (PA(2:0/20:1(11Z))) |
| 9 | C34H69NO3+H | 98.730316 | 118.511879 | 0.000000 | 0.000000 | 98.730316 | True | 300.000000 | ["Cer(d14:0/20:0)", "Cer(d16:0/18:0)", "Cer(d18:0/16:0)", "Cer(d20:0/14:0)", "Cer(iso-d17:0/17:0)"] | ["HMDB0011760", "SLM:000000562", "SLM:000389785", "SLM:000396213", "SLM:000396259", "SLM:000396506", "SLM:000397211"] | C34H69NO3+H (Cer(d14:0/20:0)) |
| 8 | C34H66O3+NH4 | 98.730316 | 118.511879 | 0.000000 | 0.000000 | 98.730316 | True | 300.000000 | ["Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H-pyran-2-one"] | ["HMDB0031034"] | C34H66O3+NH4 (Tetrahydro-6-(2-hydroxy-1...) |
| 11 | C39H78NO6P+NH4 | -98.074669 | -195.756088 | 0.000000 | 0.000000 | 98.074669 | True | 300.000000 | ["CerP(d18:1(4E)/21:0)"] | ["SLM:000395783"] | C39H78NO6P+NH4 (CerP(d18:1(4E)/21:0)) |
| 10 | C39H81N2O6P+H | -98.074669 | -195.756088 | 0.000000 | 0.000000 | 98.074669 | True | 300.000000 | ["N-hexadecanoylsphinganine-1-phosphocholine", "PE-Cer(d14:0/23:0)", "PE-Cer(d16:0/21:0)", "PE-Cer(d18:0/19:0)", "PE-Cer(d20:0/17:0)", "SM(d14:0/20:0)", "SM(d16:0/18:0)", "SM(d18:0/16:0)", "SM(d20:0/14:0)", "SM(iso-d17:0/17:0)"] | ["HMDB0062665", "SLM:000395865", "SLM:000397057", "SLM:000397689", "SLM:000397937", "SLM:000398124", "SLM:000398171", "SLM:000398262", "SLM:000398570", "SLM:000398684", "SLM:000398731", "SLM:000487564"] | C39H81N2O6P+H (N-hexadecanoylsphinganine...) |
| 12 | C30H45NO5+Na | -96.637260 | -117.667915 | 0.000000 | 0.000000 | 96.637260 | True | 300.000000 | ["Hydroxybuprenorphine"] | ["HMDB0060547"] | C30H45NO5+Na (Hydroxybuprenorphine) |
| 13 | C43H75NO4+Na | -93.376183 | -171.634842 | 0.000000 | 0.000000 | 93.376183 | True | 300.000000 | ["Cer(iso-t17:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))"] | ["SLM:000396395"] | C43H75NO4+Na (Cer(iso-t17:0/26:6(8Z,11Z...) |
| 15 | C38H75O7P+NH4 | -93.303307 | -171.588928 | 0.000000 | 0.000000 | 93.303307 | True | 300.000000 | ["PA(O-13:0/22:1(13Z))", "PA(O-15:0/20:1(11Z))", "PA(O-17:0/18:1(6Z))", "PA(O-17:0/18:1(9Z))", "PA(O-17:0/18:1(11E))", "PA(O-17:0/18:1(11Z))", "PA(O-18:1(9Z)/17:0)", "PA(O-18:1(11Z)/17:0)", "PA(O-18:1(13Z)/17:0)", "PA(O-20:1(11Z)/15:0)", "PA(O-22:1(13Z)/13:0)", "PA(P-13:0/22:0)", "PA(P-14:0/21:0)", "PA(P-15:0/20:0)", "PA(P-16:0/19:0)", "PA(P-17:0/18:0)", "PA(P-18:0/17:0)", "PA(P-20:0/15:0)", "PA(P-22:0/13:0)"] | ["SLM:000044904", "SLM:000044980", "SLM:000045041", "SLM:000045066", "SLM:000045113", "SLM:000045136", "SLM:000045211", "SLM:000045286", "SLM:000045306", "SLM:000045353", "SLM:000045370", "SLM:000045377", "SLM:000045410", "SLM:000045424", "SLM:000045546", "SLM:000045593", "SLM:000046509", "SLM:000046751", "SLM:000046999", "SLM:000047171", "SLM:000047246", "SLM:000047260", "SLM:000047321", "SLM:000047477", "SLM:000047586", "SLM:000047633", "SLM:000047792"] | C38H75O7P+NH4 (PA(O-13:0/22:1(13Z))) |
| 14 | C38H78NO7P+H | -93.303307 | -171.588928 | 0.000000 | 0.000000 | 93.303307 | True | 300.000000 | ["PC(0:0/30:0)", "PC(30:0/0:0)", "PC(O-13:0/17:0)", "PC(O-14:0/16:0)", "PC(O-15:0/15:0)", "PC(O-16:0/14:0)", "PC(O-17:0/13:0)", "PC(O-18:0/12:0)", "PC(O-20:0/10:0)", "PC(O-22:0/8:0)", "PC(O-24:0/6:0)", "PC(O-26:0/4:0)", "PC(O-28:0/2:0)", "PC(o-14:0/16:0)", "PE(O-13:0/20:0)", "PE(O-14:0/19:0)", "PE(O-15:0/18:0)", "PE(O-16:0/17:0)", "PE(O-17:0/16:0)", "PE(O-18:0/15:0)", "PE(O-20:0/13:0)", "PE(O-30:0/3:0)"] | ["HMDB0013341", "SLM:000014218", "SLM:000020774", "SLM:000027165", "SLM:000027212", "SLM:000027399", "SLM:000027460", "SLM:000027630", "SLM:000027705", "SLM:000027939", "SLM:000028007", "SLM:000028086", "SLM:000028181", "SLM:000028243", "SLM:000028326", "SLM:000028411", "SLM:000028490", "SLM:000028646", "SLM:000028894", "SLM:000029130", "SLM:000029386", "SLM:000029461", "SLM:000029561", "SLM:000029608", "SLM:000029715", "SLM:000029776", "SLM:000029932", "SLM:000030017"] | C38H78NO7P+H (PC(0:0/30:0)) |
| 16 | C42H81O10P+NH4 | -90.160072 | -178.421875 | 0.000000 | 0.000000 | 90.160072 | True | 300.000000 | ["Lysobisphosphatidate (10:0/0:0/26:1(17Z)/0:0)", "Lysobisphosphatidate (12:0/0:0/24:1(15Z)/0:0)", "Lysobisphosphatidate (14:0/0:0/22:1(13Z)/0:0)", "Lysobisphosphatidate (16:0/0:0/20:1(11Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(6Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(9Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(11E)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(11Z)/0:0)", "Lysobisphosphatidate (20:0/0:0/16:1(6Z)/0:0)", "Lysobisphosphatidate (20:0/0:0/16:1(9Z)/0:0)", "Lysobisphosphatidate (22:0/0:0/14:1(9Z)/0:0)", "PG(10:0/26:1(17Z))", "PG(12:0/24:1(15Z))", "PG(14:0/22:1(13Z))", "PG(14:1(9Z)/22:0)", "PG(16:0/20:1(11Z))", "PG(16:1(6Z)/20:0)", "PG(16:1(9Z)/20:0)", "PG(18:0/18:1(6Z))", "PG(18:0/18:1(9Z))", "PG(18:0/18:1(11E))", "PG(18:0/18:1(11Z))", "PG(18:1(6Z)/18:0)", "PG(18:1(9Z)/18:0)", "PG(18:1(11E)/18:0)", "PG(18:1(11Z)/18:0)", "PG(20:0/16:1(6Z))", "PG(20:0/16:1(9Z))", "PG(20:1(11Z)/16:0)", "PG(22:0/14:1(9Z))", "PG(22:1(13Z)/14:0)", "PG(24:1(15Z)/12:0)", "PG(26:1(17Z)/10:0)"] | ["HMDB0010603", "HMDB0010604", "HMDB0010617", "HMDB0010632", "SLM:000000690", "SLM:000036884", "SLM:000037354", "SLM:000037437", "SLM:000037995", "SLM:000038376", "SLM:000038690", "SLM:000039957", "SLM:000040044", "SLM:000041063", "SLM:000041149", "SLM:000041218", "SLM:000041500", "SLM:000041611", "SLM:000041654", "SLM:000041753", "SLM:000041767", "SLM:000042036", "SLM:000042343", "SLM:000042350", "SLM:000042383", "SLM:000042750", "SLM:000482524", "SLM:000482597", "SLM:000482669", "SLM:000482740", "SLM:000482808", "SLM:000482809", "SLM:000482810", "SLM:000482816", "SLM:000482877", "SLM:000482885", "SLM:000482964"] | C42H81O10P+NH4 (Lysobisphosphatidate (10:...) |
| 17 | C42H76NO8P+H | 89.449097 | 348.901337 | 0.000000 | 0.000000 | 89.449097 | True | 300.000000 | ["PC(2:0/32:4(17Z,20Z,23Z,26Z))", "PC(4:0/30:4(15Z,18Z,21Z,24Z))", "PC(6:0/28:4(13Z,16Z,19Z,22Z))", "PC(8:0/26:4(11Z,14Z,17Z,20Z))", "PC(12:0/22:4(7Z,10Z,13Z,16Z))", "PC(14:0/20:4(5Z,8Z,11Z,14Z))", "PC(14:0/20:4(8Z,11Z,14Z,17Z))", "PC(14:1(9Z)/20:3(5Z,8Z,11Z))", "PC(14:1(9Z)/20:3(8Z,11Z,14Z))", "PC(14:1(9Z)/20:3(11Z,14Z,17Z))", "PC(16:0/18:4(6Z,9Z,12Z,15Z))", "PC(16:1(6Z)/18:3(6Z,9Z,12Z))", "PC(16:1(6Z)/18:3(9Z,12Z,15Z))", "PC(16:1(9Z)/18:3(6Z,9Z,12Z))", "PC(16:1(9Z)/18:3(9Z,12Z,15Z))", "PC(16:2(9Z,12Z)/18:2(9Z,11E))", "PC(16:2(9Z,12Z)/18:2(9Z,12Z))", "PC(18:2(9Z,11E)/16:2(9Z,12Z))", "PC(18:2(9Z,12Z)/16:2(9Z,12Z))", "PC(18:3(6Z,9Z,12Z)/16:1(6Z))", "PC(18:3(6Z,9Z,12Z)/16:1(9Z))", "PC(18:3(9Z,12Z,15Z)/16:1(6Z))", "PC(18:3(9Z,12Z,15Z)/16:1(9Z))", "PC(18:4(6Z,9Z,12Z,15Z)/16:0)", "PC(20:3(5Z,8Z,11Z)/14:1(9Z))", "PC(20:3(8Z,11Z,14Z)/14:1(9Z))", "PC(20:3(11Z,14Z,17Z)/14:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/14:0)", "PC(20:4(8Z,11Z,14Z,17Z)/14:0)", "PC(22:4(7Z,10Z,13Z,16Z)/12:0)", "PC(24:4(9Z,12Z,15Z,18Z)/10:0)", "PC(26:4(11Z,14Z,17Z,20Z)/8:0)", "PC(28:4(13Z,16Z,19Z,22Z)/6:0)", "PC(30:4(15Z,18Z,21Z,24Z)/4:0)", "PC(32:4(17Z,20Z,23Z,26Z)/2:0)", "PE(3:0/34:4(19Z,22Z,25Z,28Z))", "PE(13:0/24:4(9Z,12Z,15Z,18Z))", "PE(15:0/22:4(7Z,10Z,13Z,16Z))", "PE(17:0/20:4(5Z,8Z,11Z,14Z))", "PE(17:0/20:4(8Z,11Z,14Z,17Z))", "PE(18:4(6Z,9Z,12Z,15Z)/19:0)", "PE(19:0/18:4(6Z,9Z,12Z,15Z))", "PE(20:4(5Z,8Z,11Z,14Z)/17:0)", "PE(20:4(8Z,11Z,14Z,17Z)/17:0)", "PE(22:4(7Z,10Z,13Z,16Z)/15:0)", "PE(24:4(9Z,12Z,15Z,18Z)/13:0)", "PE-NMe2(15:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe2(15:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe2(20:4(5Z,8Z,11Z,14Z)/15:0)", "PE-NMe2(20:4(8Z,11Z,14Z,17Z)/15:0)", "PE-NMe(14:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(16:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(16:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(16:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe(16:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(18:1(9Z)/18:3(6Z,9Z,12Z))", "PE-NMe(18:1(9Z)/18:3(9Z,12Z,15Z))", "PE-NMe(18:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe(18:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe(18:2(9Z,12Z)/18:2(9Z,12Z))", "PE-NMe(18:3(6Z,9Z,12Z)/18:1(9Z))", "PE-NMe(18:3(6Z,9Z,12Z)/18:1(11Z))", "PE-NMe(18:3(9Z,12Z,15Z)/18:1(9Z))", "PE-NMe(18:3(9Z,12Z,15Z)/18:1(11Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:0)", "PE-NMe(20:3(5Z,8Z,11Z)/16:1(9Z))", "PE-NMe(20:3(8Z,11Z,14Z)/16:1(9Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/16:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/16:0)", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/14:0)"] | ["HMDB0007883", "HMDB0007884", "HMDB0007914", "HMDB0007915", "HMDB0007976", "HMDB0008007", "HMDB0008008", "HMDB0008167", "HMDB0008200", "HMDB0008232", "HMDB0008362", "HMDB0008395", "HMDB0008426", "HMDB0008459", "HMDB0008910", "HMDB0009582", "HMDB0112993", "HMDB0113050", "HMDB0113070", "HMDB0113071", "HMDB0113092", "HMDB0113117", "HMDB0113118", "HMDB0113144", "HMDB0113145", "HMDB0113172", "HMDB0113199", "HMDB0113200", "HMDB0113227", "HMDB0113228", "HMDB0113255", "HMDB0113370", "HMDB0113398", "HMDB0113425", "HMDB0113453", "HMDB0113592", "HMDB0113928", "HMDB0113929", "HMDB0114326", "HMDB0114354", "HMDB0116725", "SLM:000008307", "SLM:000008371", "SLM:000009014", "SLM:000009479", "SLM:000009794", "SLM:000010760", "SLM:000010988", "SLM:000011041", "SLM:000011055", "SLM:000011120", "SLM:000011131", "SLM:000011378", "SLM:000011629", "SLM:000011689", "SLM:000011764", "SLM:000011929", "SLM:000011990", "SLM:000012003", "SLM:000012077", "SLM:000012081", "SLM:000012160", "SLM:000012226", "SLM:000012238", "SLM:000012347", "SLM:000012389", "SLM:000012522", "SLM:000012597", "SLM:000012858", "SLM:000013244", "SLM:000013290", "SLM:000013595", "SLM:000013942", "SLM:000013953", "SLM:000030547", "SLM:000031251", "SLM:000031717", "SLM:000031728", "SLM:000033122", "SLM:000033168", "SLM:000033409", "SLM:000033808", "SLM:000033991", "SLM:000034037", "SLM:000034366", "SLM:000035511", "SLM:000035522", "SLM:000035826", "SLM:000036147", "SLM:000036210", "SLM:000036549"] | C42H76NO8P+H (PC(2:0/32:4(17Z,20Z,23Z,2...) |
| 18 | C42H73O8P+NH4 | 89.449097 | 348.901337 | 0.000000 | 0.000000 | 89.449097 | True | 300.000000 | ["PA(3:0/36:5(18Z,21Z,24Z,27Z,30Z))", "PA(3:0/36:5(21Z,24Z,27Z,30Z,33Z))", "PA(13:0/26:5(8Z,11Z,14Z,17Z,20Z))", "PA(13:0/26:5(11Z,14Z,17Z,20Z,23Z))", "PA(15:0/24:5(6Z,9Z,12Z,15Z,18Z))", "PA(15:0/24:5(9Z,12Z,15Z,18Z,21Z))", "PA(17:0/22:5(4Z,7Z,10Z,13Z,16Z))", "PA(17:0/22:5(7Z,10Z,13Z,16Z,19Z))", "PA(19:0/20:5(5Z,8Z,11Z,14Z,17Z))", "PA(20:5(5Z,8Z,11Z,14Z,17Z)/19:0)", "PA(22:5(4Z,7Z,10Z,13Z,16Z)/17:0)", "PA(22:5(7Z,10Z,13Z,16Z,19Z)/17:0)", "PA(24:5(6Z,9Z,12Z,15Z,18Z)/15:0)", "PA(24:5(9Z,12Z,15Z,18Z,21Z)/15:0)", "PA(26:5(8Z,11Z,14Z,17Z,20Z)/13:0)", "PA(26:5(11Z,14Z,17Z,20Z,23Z)/13:0)", "PA(36:5(18Z,21Z,24Z,27Z,30Z)/3:0)", "PA(36:5(21Z,24Z,27Z,30Z,33Z)/3:0)"] | ["SLM:000021097", "SLM:000021139", "SLM:000021176", "SLM:000021250", "SLM:000021842", "SLM:000021854", "SLM:000022312", "SLM:000022321", "SLM:000023221", "SLM:000023561", "SLM:000023607", "SLM:000023690", "SLM:000023870", "SLM:000023930", "SLM:000024270", "SLM:000024316", "SLM:000024492", "SLM:000024566", "SLM:000024817", "SLM:000024877", "SLM:000026085", "SLM:000026094", "SLM:000026395", "SLM:000026712", "SLM:000026724", "SLM:000026782", "SLM:000027072", "SLM:000027114", "SLM:000496694", "SLM:000497169"] | C42H73O8P+NH4 (PA(3:0/36:5(18Z,21Z,24Z,2...) |
| 19 | C43H63NO7+NH4 | 87.872887 | 162.207443 | 0.000000 | 0.000000 | 87.872887 | True | 300.000000 | ["Spirolide C"] | ["HMDB0038344"] | C43H63NO7+NH4 (Spirolide C) |
| 20 | C39H73O8P+Na | 82.681313 | 152.627960 | 0.000000 | 0.000000 | 82.681313 | True | 300.000000 | ["9-Octadecenoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester", "PA(14:0/22:2(13Z,16Z))", "PA(14:1(9Z)/22:1(13Z))", "PA(16:0/20:2(11Z,14Z))", "PA(16:1(6Z)/20:1(11Z))", "PA(16:1(9Z)/20:1(11Z))", "PA(16:2(9Z,12Z)/20:0)", "PA(18:0/18:2(9Z,11E))", "PA(18:0/18:2(9Z,12Z))", "PA(18:1(6Z)/18:1(6Z))", "PA(18:1(6Z)/18:1(9Z))", "PA(18:1(6Z)/18:1(11E))", "PA(18:1(6Z)/18:1(11Z))", "PA(18:1(9Z)/18:1(6Z))", "PA(18:1(9Z)/18:1(9Z))", "PA(18:1(9Z)/18:1(11E))", "PA(18:1(9Z)/18:1(11Z))", "PA(18:1(11E)/18:1(6Z))", "PA(18:1(11E)/18:1(9Z))", "PA(18:1(11E)/18:1(11E))", "PA(18:1(11E)/18:1(11Z))", "PA(18:1(11Z)/18:1(6Z))", "PA(18:1(11Z)/18:1(9Z))", "PA(18:1(11Z)/18:1(11E))", "PA(18:1(11Z)/18:1(11Z))", "PA(18:2(9Z,11E)/18:0)", "PA(18:2(9Z,12Z)/18:0)", "PA(20:0/16:2(9Z,12Z))", "PA(20:1(11Z)/16:1(6Z))", "PA(20:1(11Z)/16:1(9Z))", "PA(20:2(11Z,14Z)/16:0)", "PA(22:1(13Z)/14:1(9Z))", "PA(22:2(13Z,16Z)/14:0)"] | ["HMDB0007861", "HMDB0007862", "HMDB0007863", "HMDB0007864", "HMDB0007865", "HMDB0031129", "HMDB0114804", "HMDB0114951", "HMDB0115095", "HMDB0115271", "HMDB0115296", "HMDB0115510", "HMDB0115535", "HMDB0116699", "SLM:000000677", "SLM:000000679", "SLM:000000784", "SLM:000021023", "SLM:000021056", "SLM:000021070", "SLM:000021476", "SLM:000021529", "SLM:000021543", "SLM:000021570", "SLM:000021609", "SLM:000021623", "SLM:000022117", "SLM:000022177", "SLM:000024102", "SLM:000024175", "SLM:000024182", "SLM:000024228", "SLM:000024796", "SLM:000025103", "SLM:000025189", "SLM:000025206", "SLM:000025279", "SLM:000025361", "SLM:000025426", "SLM:000025433", "SLM:000025465", "SLM:000025947", "SLM:000026215", "SLM:000026566", "SLM:000026571", "SLM:000026926"] | C39H73O8P+Na (9-Octadecenoic acid 1-[(p...) |
| 21 | C31H44O6+NH4 | -82.336914 | -282.278961 | 0.000000 | 0.000000 | 82.336914 | True | 300.000000 | ["Carindone", "Glyuranolide"] | ["HMDB0038189", "HMDB0038745"] | C31H44O6+NH4 (Carindone) |
| 22 | C45H91O7P+H | -81.038589 | -478.446259 | 0.000000 | 0.000000 | 81.038589 | True | 300.000000 | ["PA(O-14:0/28:0)", "PA(O-16:0/26:0)", "PA(O-18:0/24:0)", "PA(O-20:0/22:0)", "PA(O-22:0/20:0)", "PA(O-24:0/18:0)", "PA(O-26:0/16:0)", "PA(O-28:0/14:0)", "PA(O-30:0/12:0)"] | ["SLM:000045671", "SLM:000045749", "SLM:000045835", "SLM:000045914", "SLM:000046004", "SLM:000046083", "SLM:000046159", "SLM:000046238", "SLM:000046310"] | C45H91O7P+H (PA(O-14:0/28:0)) |
| 23 | C44H84NO8P+Na | 80.852554 | inf | 0.000000 | 0.000000 | 80.852554 | True | 300.000000 | ["1,2-dioleoyl-sn-glycero-3-phosphocholine", "PC(14:0/22:2(13Z,16Z))", "PC(14:1(9Z)/22:1(13Z))", "PC(16:0/20:2(11Z,14Z))", "PC(16:1(6Z)/20:1(11Z))", "PC(16:1(9Z)/20:1(11Z))", "PC(16:2(9Z,12Z)/20:0)", "PC(18:0/18:2(9Z,11E))", "PC(18:0/18:2(9Z,12Z))", "PC(18:1(6Z)/18:1(6Z))", "PC(18:1(6Z)/18:1(9Z))", "PC(18:1(6Z)/18:1(11E))", "PC(18:1(6Z)/18:1(11Z))", "PC(18:1(9Z)/18:1(6Z))", "PC(18:1(9Z)/18:1(9Z))", "PC(18:1(9Z)/18:1(11E))", "PC(18:1(9Z)/18:1(11Z))", "PC(18:1(11E)/18:1(6Z))", "PC(18:1(11E)/18:1(9Z))", "PC(18:1(11E)/18:1(11E))", "PC(18:1(11E)/18:1(11Z))", "PC(18:1(11Z)/18:1(6Z))", "PC(18:1(11Z)/18:1(9Z))", "PC(18:1(11Z)/18:1(11E))", "PC(18:1(11Z)/18:1(11Z))", "PC(18:2(9Z,11E)/18:0)", "PC(18:2(9Z,12Z)/18:0)", "PC(20:0/16:2(9Z,12Z))", "PC(20:1(11Z)/16:1(6Z))", "PC(20:1(11Z)/16:1(9Z))", "PC(20:2(11Z,14Z)/16:0)", "PC(22:1(13Z)/14:1(9Z))", "PC(22:2(13Z,16Z)/14:0)", "PE(17:0/22:2(13Z,16Z))", "PE(18:2(9Z,11E)/21:0)", "PE(18:2(9Z,12Z)/21:0)", "PE(19:0/20:2(11Z,14Z))", "PE(20:2(11Z,14Z)/19:0)", "PE(21:0/18:2(9Z,11E))", "PE(21:0/18:2(9Z,12Z))", "PE(22:2(13Z,16Z)/17:0)", "PE-NMe2(15:0/22:2(13Z,16Z))", "PE-NMe2(22:2(13Z,16Z)/15:0)", "PE-NMe(14:1(9Z)/24:1(15Z))", "PE-NMe(16:0/22:2(13Z,16Z))", "PE-NMe(16:1(9Z)/22:1(13Z))", "PE-NMe(18:0/20:2(11Z,14Z))", "PE-NMe(18:1(9Z)/20:1(11Z))", "PE-NMe(18:1(11Z)/20:1(11Z))", "PE-NMe(18:2(9Z,12Z)/20:0)", "PE-NMe(20:0/18:2(9Z,12Z))", "PE-NMe(20:1(11Z)/18:1(9Z))", "PE-NMe(20:1(11Z)/18:1(11Z))", "PE-NMe(20:2(11Z,14Z)/18:0)", "PE-NMe(22:1(13Z)/16:1(9Z))", "PE-NMe(22:2(13Z,16Z)/16:0)", "PE-NMe(24:1(15Z)/14:1(9Z))"] | ["HMDB0000593", "HMDB0007888", "HMDB0007920", "HMDB0007979", "HMDB0008011", "HMDB0008039", "HMDB0008070", "HMDB0008071", "HMDB0008103", "HMDB0008135", "HMDB0008299", "HMDB0008331", "HMDB0008559", "HMDB0008590", "HMDB0062690", "HMDB0112977", "HMDB0113054", "HMDB0113076", "HMDB0113095", "HMDB0113121", "HMDB0113148", "HMDB0113176", "HMDB0113287", "HMDB0113314", "HMDB0113315", "HMDB0113342", "HMDB0113539", "HMDB0113566", "HMDB0113729", "HMDB0113933", "HMDB0114468", "SLM:000000798", "SLM:000008007", "SLM:000008040", "SLM:000008054", "SLM:000008460", "SLM:000008513", "SLM:000008527", "SLM:000008554", "SLM:000008593", "SLM:000008607", "SLM:000009101", "SLM:000009161", "SLM:000011088", "SLM:000011161", "SLM:000011168", "SLM:000011214", "SLM:000011782", "SLM:000012090", "SLM:000012177", "SLM:000012194", "SLM:000012267", "SLM:000012274", "SLM:000012306", "SLM:000012357", "SLM:000012422", "SLM:000012429", "SLM:000012462", "SLM:000012945", "SLM:000013214", "SLM:000013562", "SLM:000013567", "SLM:000013921", "SLM:000030881", "SLM:000031462", "SLM:000031509", "SLM:000031697", "SLM:000034194", "SLM:000034589", "SLM:000035445", "SLM:000035450", "SLM:000035490", "SLM:000035794"] | C44H84NO8P+Na (1,2-dioleoyl-sn-glycero-3...) |
| 24 | C47H83NO4+Na | -80.438011 | -183.161072 | 0.000000 | 0.000000 | 80.438011 | True | 300.000000 | ["Cer(iso-t17:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))"] | ["SLM:000396360"] | C47H83NO4+Na (Cer(iso-t17:0/30:6(12Z,15...) |
| 25 | C42H86NO7P+H | -80.437729 | -183.168198 | 0.000000 | 0.000000 | 80.437729 | True | 300.000000 | ["PC(O-13:0/21:0)", "PC(O-14:0/20:0)", "PC(O-15:0/19:0)", "PC(O-16:0/18:0)", "PC(O-17:0/17:0)", "PC(O-18:0/16:0)", "PC(O-20:0/14:0)", "PC(O-22:0/12:0)", "PC(O-24:0/10:0)", "PC(O-26:0/8:0)", "PC(O-28:0/6:0)", "PC(O-30:0/4:0)", "PC(o-16:0/18:0)", "PE(O-13:0/24:0)", "PE(O-15:0/22:0)", "PE(O-16:0/21:0)", "PE(O-17:0/20:0)", "PE(O-18:0/19:0)", "PE(O-20:0/17:0)", "PE(O-22:0/15:0)", "PE(O-24:0/13:0)"] | ["HMDB0013405", "SLM:000000702", "SLM:000027211", "SLM:000027456", "SLM:000027645", "SLM:000027692", "SLM:000027929", "SLM:000028023", "SLM:000028099", "SLM:000028176", "SLM:000028253", "SLM:000028403", "SLM:000028486", "SLM:000028562", "SLM:000028658", "SLM:000028884", "SLM:000029126", "SLM:000029315", "SLM:000029376", "SLM:000029401", "SLM:000029448", "SLM:000029607", "SLM:000029772", "SLM:000029786", "SLM:000029861"] | C42H86NO7P+H (PC(O-13:0/21:0)) |
| 26 | C42H83O7P+NH4 | -80.437729 | -183.168198 | 0.000000 | 0.000000 | 80.437729 | True | 300.000000 | ["PA(O-13:0/26:1(17Z))", "PA(O-15:0/24:1(15Z))", "PA(O-17:0/22:1(13Z))", "PA(O-18:1(9Z)/21:0)", "PA(O-18:1(11Z)/21:0)", "PA(O-18:1(13Z)/21:0)", "PA(O-20:1(11Z)/19:0)", "PA(O-22:1(13Z)/17:0)", "PA(P-13:0/26:0)", "PA(P-15:0/24:0)", "PA(P-17:0/22:0)", "PA(P-18:0/21:0)", "PA(P-20:0/19:0)", "PA(P-22:0/17:0)", "PA(P-24:0/15:0)", "PA(P-26:0/13:0)"] | ["SLM:000044913", "SLM:000045037", "SLM:000045112", "SLM:000045149", "SLM:000045226", "SLM:000045273", "SLM:000045352", "SLM:000045384", "SLM:000045592", "SLM:000046514", "SLM:000046763", "SLM:000046989", "SLM:000047186", "SLM:000047233", "SLM:000047317", "SLM:000047331", "SLM:000047406", "SLM:000047632", "SLM:000047660", "SLM:000047721"] | C42H83O7P+NH4 (PA(O-13:0/26:1(17Z))) |
| 27 | C44H82NO8P+Na | 69.946632 | 174.446533 | 0.000000 | 0.000000 | 69.946632 | True | 300.000000 | ["PC(14:0/22:3(10Z,13Z,16Z))", "PC(14:1(9Z)/22:2(13Z,16Z))", "PC(16:0/20:3(5Z,8Z,11Z))", "PC(16:0/20:3(8Z,11Z,14Z))", "PC(16:0/20:3(11Z,14Z,17Z))", "PC(16:1(6Z)/20:2(11Z,14Z))", "PC(16:1(9Z)/20:2(11Z,14Z))", "PC(16:2(9Z,12Z)/20:1(11Z))", "PC(18:0/18:3(6Z,9Z,12Z))", "PC(18:0/18:3(9Z,12Z,15Z))", "PC(18:1(6Z)/18:2(9Z,11E))", "PC(18:1(6Z)/18:2(9Z,12Z))", "PC(18:1(9Z)/18:2(9Z,11E))", "PC(18:1(9Z)/18:2(9Z,12Z))", "PC(18:1(11E)/18:2(9Z,11E))", "PC(18:1(11E)/18:2(9Z,12Z))", "PC(18:1(11Z)/18:2(9Z,11E))", "PC(18:1(11Z)/18:2(9Z,12Z))", "PC(18:2(9Z,11E)/18:1(6Z))", "PC(18:2(9Z,11E)/18:1(9Z))", "PC(18:2(9Z,11E)/18:1(11E))", "PC(18:2(9Z,11E)/18:1(11Z))", "PC(18:2(9Z,12Z)/18:1(6Z))", "PC(18:2(9Z,12Z)/18:1(9Z))", "PC(18:2(9Z,12Z)/18:1(11E))", "PC(18:2(9Z,12Z)/18:1(11Z))", "PC(18:3(6Z,9Z,12Z)/18:0)", "PC(18:3(9Z,12Z,15Z)/18:0)", "PC(20:1(11Z)/16:2(9Z,12Z))", "PC(20:2(11Z,14Z)/16:1(6Z))", "PC(20:2(11Z,14Z)/16:1(9Z))", "PC(20:3(5Z,8Z,11Z)/16:0)", "PC(20:3(8Z,11Z,14Z)/16:0)", "PC(20:3(11Z,14Z,17Z)/16:0)", "PC(22:2(13Z,16Z)/14:1(9Z))", "PC(22:3(10Z,13Z,16Z)/14:0)", "PE(17:0/22:3(10Z,13Z,16Z))", "PE(18:3(6Z,9Z,12Z)/21:0)", "PE(18:3(9Z,12Z,15Z)/21:0)", "PE(19:0/20:3(8Z,11Z,14Z))", "PE(19:0/20:3(11Z,14Z,17Z))", "PE(20:3(8Z,11Z,14Z)/19:0)", "PE(20:3(11Z,14Z,17Z)/19:0)", "PE(21:0/18:3(6Z,9Z,12Z))", "PE(21:0/18:3(9Z,12Z,15Z))", "PE(22:3(10Z,13Z,16Z)/17:0)", "PE-NMe(16:1(9Z)/22:2(13Z,16Z))", "PE-NMe(18:0/20:3(5Z,8Z,11Z))", "PE-NMe(18:0/20:3(8Z,11Z,14Z))", "PE-NMe(18:1(9Z)/20:2(11Z,14Z))", "PE-NMe(18:1(11Z)/20:2(11Z,14Z))", "PE-NMe(18:2(9Z,12Z)/20:1(11Z))", "PE-NMe(18:3(6Z,9Z,12Z)/20:0)", "PE-NMe(18:3(9Z,12Z,15Z)/20:0)", "PE-NMe(20:0/18:3(6Z,9Z,12Z))", "PE-NMe(20:0/18:3(9Z,12Z,15Z))", "PE-NMe(20:1(11Z)/18:2(9Z,12Z))", "PE-NMe(20:2(11Z,14Z)/18:1(9Z))", "PE-NMe(20:2(11Z,14Z)/18:1(11Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:0)", "PE-NMe(20:3(8Z,11Z,14Z)/18:0)", "PE-NMe(22:2(13Z,16Z)/16:1(9Z))"] | ["HMDB0007921", "HMDB0007980", "HMDB0007981", "HMDB0008012", "HMDB0008040", "HMDB0008041", "HMDB0008072", "HMDB0008105", "HMDB0008136", "HMDB0008137", "HMDB0008168", "HMDB0008201", "HMDB0008332", "HMDB0008364", "HMDB0008397", "HMDB0008591", "HMDB0113077", "HMDB0113096", "HMDB0113097", "HMDB0113122", "HMDB0113149", "HMDB0113177", "HMDB0113204", "HMDB0113233", "HMDB0113288", "HMDB0113289", "HMDB0113316", "HMDB0113343", "HMDB0113344", "HMDB0113371", "HMDB0113399", "HMDB0113567", "SLM:000000799", "SLM:000007995", "SLM:000008047", "SLM:000008052", "SLM:000008381", "SLM:000008434", "SLM:000008448", "SLM:000008525", "SLM:000008600", "SLM:000008605", "SLM:000009082", "SLM:000011071", "SLM:000011087", "SLM:000011207", "SLM:000011212", "SLM:000011699", "SLM:000011714", "SLM:000011721", "SLM:000011754", "SLM:000011767", "SLM:000012019", "SLM:000012036", "SLM:000012109", "SLM:000012116", "SLM:000012149", "SLM:000012162", "SLM:000012193", "SLM:000012313", "SLM:000012356", "SLM:000013213", "SLM:000013253", "SLM:000013553", "SLM:000013565", "SLM:000013907", "SLM:000030356", "SLM:000030403", "SLM:000030802", "SLM:000031683", "SLM:000033483", "SLM:000034120", "SLM:000034431", "SLM:000035436", "SLM:000035448", "SLM:000035476", "SLM:000035793", "SLM:000035835"] | C44H82NO8P+Na (PC(14:0/22:3(10Z,13Z,16Z)...) |
| 28 | C42H82NO11P+Na | -66.492294 | -100.636162 | 0.000000 | 0.000000 | 66.492294 | True | 300.000000 | ["IPC(d18:0/18:1(9Z))"] | ["SLM:000508918"] | C42H82NO11P+Na (IPC(d18:0/18:1(9Z))) |
| 29 | C51H76O5+NH4 | 66.021156 | inf | 0.000000 | 0.000000 | 66.021156 | True | 300.000000 | ["1,2-di-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol", "1,3-di-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol", "2,3-di-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol"] | ["SLM:000130382", "SLM:000130383", "SLM:000130384"] | C51H76O5+NH4 (1,2-di-(6Z,9Z,12Z,15Z,18Z...) |
| ion | scores | logfoldchanges | pvals | pvals_adj | abs_scores | significance | pvals_adj_nlog10 | moleculeNames | moleculeIds | first_mol_name_short | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | C43H75NO4+Na | 147.258301 | 275.061707 | 0.000000 | 0.000000 | 147.258301 | True | 300.000000 | ["Cer(iso-t17:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))"] | ["SLM:000396395"] | C43H75NO4+Na (Cer(iso-t17:0/26:6(8Z,11Z...) |
| 1 | C38H75O7P+NH4 | 147.188019 | 275.016235 | 0.000000 | 0.000000 | 147.188019 | True | 300.000000 | ["PA(O-13:0/22:1(13Z))", "PA(O-15:0/20:1(11Z))", "PA(O-17:0/18:1(6Z))", "PA(O-17:0/18:1(9Z))", "PA(O-17:0/18:1(11E))", "PA(O-17:0/18:1(11Z))", "PA(O-18:1(9Z)/17:0)", "PA(O-18:1(11Z)/17:0)", "PA(O-18:1(13Z)/17:0)", "PA(O-20:1(11Z)/15:0)", "PA(O-22:1(13Z)/13:0)", "PA(P-13:0/22:0)", "PA(P-14:0/21:0)", "PA(P-15:0/20:0)", "PA(P-16:0/19:0)", "PA(P-17:0/18:0)", "PA(P-18:0/17:0)", "PA(P-20:0/15:0)", "PA(P-22:0/13:0)"] | ["SLM:000044904", "SLM:000044980", "SLM:000045041", "SLM:000045066", "SLM:000045113", "SLM:000045136", "SLM:000045211", "SLM:000045286", "SLM:000045306", "SLM:000045353", "SLM:000045370", "SLM:000045377", "SLM:000045410", "SLM:000045424", "SLM:000045546", "SLM:000045593", "SLM:000046509", "SLM:000046751", "SLM:000046999", "SLM:000047171", "SLM:000047246", "SLM:000047260", "SLM:000047321", "SLM:000047477", "SLM:000047586", "SLM:000047633", "SLM:000047792"] | C38H75O7P+NH4 (PA(O-13:0/22:1(13Z))) |
| 2 | C38H78NO7P+H | 147.188019 | 275.016235 | 0.000000 | 0.000000 | 147.188019 | True | 300.000000 | ["PC(0:0/30:0)", "PC(30:0/0:0)", "PC(O-13:0/17:0)", "PC(O-14:0/16:0)", "PC(O-15:0/15:0)", "PC(O-16:0/14:0)", "PC(O-17:0/13:0)", "PC(O-18:0/12:0)", "PC(O-20:0/10:0)", "PC(O-22:0/8:0)", "PC(O-24:0/6:0)", "PC(O-26:0/4:0)", "PC(O-28:0/2:0)", "PC(o-14:0/16:0)", "PE(O-13:0/20:0)", "PE(O-14:0/19:0)", "PE(O-15:0/18:0)", "PE(O-16:0/17:0)", "PE(O-17:0/16:0)", "PE(O-18:0/15:0)", "PE(O-20:0/13:0)", "PE(O-30:0/3:0)"] | ["HMDB0013341", "SLM:000014218", "SLM:000020774", "SLM:000027165", "SLM:000027212", "SLM:000027399", "SLM:000027460", "SLM:000027630", "SLM:000027705", "SLM:000027939", "SLM:000028007", "SLM:000028086", "SLM:000028181", "SLM:000028243", "SLM:000028326", "SLM:000028411", "SLM:000028490", "SLM:000028646", "SLM:000028894", "SLM:000029130", "SLM:000029386", "SLM:000029461", "SLM:000029561", "SLM:000029608", "SLM:000029715", "SLM:000029776", "SLM:000029932", "SLM:000030017"] | C38H78NO7P+H (PC(0:0/30:0)) |
| 3 | C25H47O8P+NH4 | 144.073563 | 276.819489 | 0.000000 | 0.000000 | 144.073563 | True | 300.000000 | ["PA(2:0/20:1(11Z))", "PA(4:0/18:1(6Z))", "PA(4:0/18:1(9Z))", "PA(4:0/18:1(11E))", "PA(4:0/18:1(11Z))", "PA(6:0/16:1(6Z))", "PA(6:0/16:1(9Z))", "PA(8:0/14:1(9Z))", "PA(14:1(9Z)/8:0)", "PA(16:1(6Z)/6:0)", "PA(16:1(9Z)/6:0)", "PA(18:1(6Z)/4:0)", "PA(18:1(9Z)/4:0)", "PA(18:1(11E)/4:0)", "PA(18:1(11Z)/4:0)", "PA(20:1(11Z)/2:0)"] | ["SLM:000021073", "SLM:000021546", "SLM:000021626", "SLM:000024161", "SLM:000024231", "SLM:000025265", "SLM:000025331", "SLM:000025416", "SLM:000025509", "SLM:000025580", "SLM:000025587", "SLM:000025620", "SLM:000025634", "SLM:000026322", "SLM:000026336", "SLM:000026652"] | C25H47O8P+NH4 (PA(2:0/20:1(11Z))) |
| 4 | C25H50NO8P+H | 144.073563 | 276.819489 | 0.000000 | 0.000000 | 144.073563 | True | 300.000000 | ["PC(2:0/15:0)", "PC(3:0/14:0)", "PC(4:0/13:0)", "PC(13:0/4:0)", "PC(14:0/3:0)", "PC(15:0/2:0)", "PE(2:0/18:0)", "PE(3:0/17:0)", "PE(4:0/16:0)", "PE(6:0/14:0)", "PE(8:0/12:0)", "PE(10:0/10:0)", "PE(12:0/8:0)", "PE(14:0/6:0)", "PE(16:0/4:0)", "PE(17:0/3:0)", "PE(18:0/2:0)"] | ["SLM:000008136", "SLM:000008846", "SLM:000012510", "SLM:000012570", "SLM:000012580", "SLM:000012654", "SLM:000013727", "SLM:000013823", "SLM:000013979", "SLM:000014122", "SLM:000031755", "SLM:000034902", "SLM:000034992", "SLM:000035067", "SLM:000035309", "SLM:000035548", "SLM:000035688", "SLM:000035783", "SLM:000036003", "SLM:000036086", "SLM:000036200", "SLM:000036247", "SLM:000036408"] | C25H50NO8P+H (PC(2:0/15:0)) |
| 5 | C39H78NO6P+NH4 | 133.562653 | 290.542999 | 0.000000 | 0.000000 | 133.562653 | True | 300.000000 | ["CerP(d18:1(4E)/21:0)"] | ["SLM:000395783"] | C39H78NO6P+NH4 (CerP(d18:1(4E)/21:0)) |
| 6 | C39H81N2O6P+H | 133.562653 | 290.542999 | 0.000000 | 0.000000 | 133.562653 | True | 300.000000 | ["N-hexadecanoylsphinganine-1-phosphocholine", "PE-Cer(d14:0/23:0)", "PE-Cer(d16:0/21:0)", "PE-Cer(d18:0/19:0)", "PE-Cer(d20:0/17:0)", "SM(d14:0/20:0)", "SM(d16:0/18:0)", "SM(d18:0/16:0)", "SM(d20:0/14:0)", "SM(iso-d17:0/17:0)"] | ["HMDB0062665", "SLM:000395865", "SLM:000397057", "SLM:000397689", "SLM:000397937", "SLM:000398124", "SLM:000398171", "SLM:000398262", "SLM:000398570", "SLM:000398684", "SLM:000398731", "SLM:000487564"] | C39H81N2O6P+H (N-hexadecanoylsphinganine...) |
| 7 | C42H81O10P+NH4 | 129.440964 | 272.278992 | 0.000000 | 0.000000 | 129.440964 | True | 300.000000 | ["Lysobisphosphatidate (10:0/0:0/26:1(17Z)/0:0)", "Lysobisphosphatidate (12:0/0:0/24:1(15Z)/0:0)", "Lysobisphosphatidate (14:0/0:0/22:1(13Z)/0:0)", "Lysobisphosphatidate (16:0/0:0/20:1(11Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(6Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(9Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(11E)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(11Z)/0:0)", "Lysobisphosphatidate (20:0/0:0/16:1(6Z)/0:0)", "Lysobisphosphatidate (20:0/0:0/16:1(9Z)/0:0)", "Lysobisphosphatidate (22:0/0:0/14:1(9Z)/0:0)", "PG(10:0/26:1(17Z))", "PG(12:0/24:1(15Z))", "PG(14:0/22:1(13Z))", "PG(14:1(9Z)/22:0)", "PG(16:0/20:1(11Z))", "PG(16:1(6Z)/20:0)", "PG(16:1(9Z)/20:0)", "PG(18:0/18:1(6Z))", "PG(18:0/18:1(9Z))", "PG(18:0/18:1(11E))", "PG(18:0/18:1(11Z))", "PG(18:1(6Z)/18:0)", "PG(18:1(9Z)/18:0)", "PG(18:1(11E)/18:0)", "PG(18:1(11Z)/18:0)", "PG(20:0/16:1(6Z))", "PG(20:0/16:1(9Z))", "PG(20:1(11Z)/16:0)", "PG(22:0/14:1(9Z))", "PG(22:1(13Z)/14:0)", "PG(24:1(15Z)/12:0)", "PG(26:1(17Z)/10:0)"] | ["HMDB0010603", "HMDB0010604", "HMDB0010617", "HMDB0010632", "SLM:000000690", "SLM:000036884", "SLM:000037354", "SLM:000037437", "SLM:000037995", "SLM:000038376", "SLM:000038690", "SLM:000039957", "SLM:000040044", "SLM:000041063", "SLM:000041149", "SLM:000041218", "SLM:000041500", "SLM:000041611", "SLM:000041654", "SLM:000041753", "SLM:000041767", "SLM:000042036", "SLM:000042343", "SLM:000042350", "SLM:000042383", "SLM:000042750", "SLM:000482524", "SLM:000482597", "SLM:000482669", "SLM:000482740", "SLM:000482808", "SLM:000482809", "SLM:000482810", "SLM:000482816", "SLM:000482877", "SLM:000482885", "SLM:000482964"] | C42H81O10P+NH4 (Lysobisphosphatidate (10:...) |
| 8 | C42H86NO7P+H | 126.006676 | 292.811707 | 0.000000 | 0.000000 | 126.006676 | True | 300.000000 | ["PC(O-13:0/21:0)", "PC(O-14:0/20:0)", "PC(O-15:0/19:0)", "PC(O-16:0/18:0)", "PC(O-17:0/17:0)", "PC(O-18:0/16:0)", "PC(O-20:0/14:0)", "PC(O-22:0/12:0)", "PC(O-24:0/10:0)", "PC(O-26:0/8:0)", "PC(O-28:0/6:0)", "PC(O-30:0/4:0)", "PC(o-16:0/18:0)", "PE(O-13:0/24:0)", "PE(O-15:0/22:0)", "PE(O-16:0/21:0)", "PE(O-17:0/20:0)", "PE(O-18:0/19:0)", "PE(O-20:0/17:0)", "PE(O-22:0/15:0)", "PE(O-24:0/13:0)"] | ["HMDB0013405", "SLM:000000702", "SLM:000027211", "SLM:000027456", "SLM:000027645", "SLM:000027692", "SLM:000027929", "SLM:000028023", "SLM:000028099", "SLM:000028176", "SLM:000028253", "SLM:000028403", "SLM:000028486", "SLM:000028562", "SLM:000028658", "SLM:000028884", "SLM:000029126", "SLM:000029315", "SLM:000029376", "SLM:000029401", "SLM:000029448", "SLM:000029607", "SLM:000029772", "SLM:000029786", "SLM:000029861"] | C42H86NO7P+H (PC(O-13:0/21:0)) |
| 9 | C42H83O7P+NH4 | 126.006676 | 292.811707 | 0.000000 | 0.000000 | 126.006676 | True | 300.000000 | ["PA(O-13:0/26:1(17Z))", "PA(O-15:0/24:1(15Z))", "PA(O-17:0/22:1(13Z))", "PA(O-18:1(9Z)/21:0)", "PA(O-18:1(11Z)/21:0)", "PA(O-18:1(13Z)/21:0)", "PA(O-20:1(11Z)/19:0)", "PA(O-22:1(13Z)/17:0)", "PA(P-13:0/26:0)", "PA(P-15:0/24:0)", "PA(P-17:0/22:0)", "PA(P-18:0/21:0)", "PA(P-20:0/19:0)", "PA(P-22:0/17:0)", "PA(P-24:0/15:0)", "PA(P-26:0/13:0)"] | ["SLM:000044913", "SLM:000045037", "SLM:000045112", "SLM:000045149", "SLM:000045226", "SLM:000045273", "SLM:000045352", "SLM:000045384", "SLM:000045592", "SLM:000046514", "SLM:000046763", "SLM:000046989", "SLM:000047186", "SLM:000047233", "SLM:000047317", "SLM:000047331", "SLM:000047406", "SLM:000047632", "SLM:000047660", "SLM:000047721"] | C42H83O7P+NH4 (PA(O-13:0/26:1(17Z))) |
| 10 | C47H83NO4+Na | 125.977768 | 292.772827 | 0.000000 | 0.000000 | 125.977768 | True | 300.000000 | ["Cer(iso-t17:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))"] | ["SLM:000396360"] | C47H83NO4+Na (Cer(iso-t17:0/30:6(12Z,15...) |
| 11 | C48H82NO8P+H | -114.713905 | -221.383804 | 0.000000 | 0.000000 | 114.713905 | True | 300.000000 | ["PC(14:1(9Z)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PC(16:1(6Z)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(16:1(9Z)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(16:2(9Z,12Z)/24:5(6Z,9Z,12Z,15Z,18Z))", "PC(16:2(9Z,12Z)/24:5(9Z,12Z,15Z,18Z,21Z))", "PC(18:1(6Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:2(9Z,11E)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(18:2(9Z,11E)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))", "PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))", "PC(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z))", "PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:3(11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(11Z,14Z,17Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(11Z,14Z,17Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))", "PC(22:3(10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))", "PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))", "PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,11E))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,11E))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(6Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11E))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))", "PC(24:5(6Z,9Z,12Z,15Z,18Z)/16:2(9Z,12Z))", "PC(24:5(9Z,12Z,15Z,18Z,21Z)/16:2(9Z,12Z))", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/16:1(6Z))", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/16:1(9Z))", "PC(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/14:1(9Z))", "PE-NMe(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PE-NMe(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))", "PE-NMe(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))", "PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))"] | ["HMDB0008090", "HMDB0008123", "HMDB0008154", "HMDB0008155", "HMDB0008186", "HMDB0008219", "HMDB0008347", "HMDB0008378", "HMDB0008379", "HMDB0008410", "HMDB0008411", "HMDB0008441", "HMDB0008442", "HMDB0008474", "HMDB0008475", "HMDB0008506", "HMDB0008632", "HMDB0008633", "HMDB0008664", "HMDB0008697", "HMDB0008728", "HMDB0008729", "HMDB0113334", "HMDB0113361", "HMDB0113362", "HMDB0113389", "HMDB0113417", "HMDB0113501", "HMDB0113582", "HMDB0113607", "HMDB0113608", "HMDB0113633", "HMDB0113660", "HMDB0113686", "SLM:000007958", "SLM:000008031", "SLM:000008350", "SLM:000008361", "SLM:000008428", "SLM:000008584", "SLM:000010450", "SLM:000010457", "SLM:000010489", "SLM:000010503", "SLM:000010575", "SLM:000010580", "SLM:000010613", "SLM:000010691", "SLM:000010732", "SLM:000010804", "SLM:000010818", "SLM:000010895", "SLM:000010923", "SLM:000011044", "SLM:000011117", "SLM:000011192", "SLM:000011286", "SLM:000011291", "SLM:000011357", "SLM:000011368", "SLM:000011452", "SLM:000011560", "SLM:000011601", "SLM:000011669", "SLM:000011680", "SLM:000011746", "SLM:000011755", "SLM:000011843", "SLM:000011993", "SLM:000012066", "SLM:000012078", "SLM:000012141", "SLM:000012150", "SLM:000012223", "SLM:000012298", "SLM:000012386"] | C48H82NO8P+H (PC(14:1(9Z)/26:6(8Z,11Z,1...) |
| 12 | C46H80NO8P+H | -112.506340 | -254.994125 | 0.000000 | 0.000000 | 112.506340 | True | 300.000000 | ["PC(2:0/36:6(18Z,21Z,24Z,27Z,30Z,33Z))", "PC(4:0/34:6(16Z,19Z,22Z,25Z,28Z,31Z))", "PC(8:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))", "PC(10:0/28:6(10Z,13Z,16Z,19Z,22Z,25Z))", "PC(12:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PC(14:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(14:1(9Z)/24:5(6Z,9Z,12Z,15Z,18Z))", "PC(14:1(9Z)/24:5(9Z,12Z,15Z,18Z,21Z))", "PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(16:1(6Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(16:1(6Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(18:2(9Z,11E)/20:4(5Z,8Z,11Z,14Z))", "PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))", "PC(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))", "PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))", "PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))", "PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))", "PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))", "PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))", "PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))", "PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))", "PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))", "PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))", "PC(20:3(11Z,14Z,17Z)/18:3(6Z,9Z,12Z))", "PC(20:3(11Z,14Z,17Z)/18:3(9Z,12Z,15Z))", "PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,11E))", "PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))", "PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,11E))", "PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(6Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11E))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))", "PC(22:4(7Z,10Z,13Z,16Z)/16:2(9Z,12Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(6Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(6Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/14:0)", "PC(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/12:0)", "PC(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/10:0)", "PC(30:6(12Z,15Z,18Z,21Z,24Z,27Z)/8:0)", "PC(34:6(16Z,19Z,22Z,25Z,28Z,31Z)/4:0)", "PC(36:6(18Z,21Z,24Z,27Z,30Z,33Z)/2:0)", "PE(13:0/28:6(10Z,13Z,16Z,19Z,22Z,25Z))", "PE(15:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PE(17:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)", "PE(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/15:0)", "PE(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/13:0)", "PE-NMe(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PE-NMe(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))", "PE-NMe(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PE-NMe(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))", "PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))", "PE-NMe(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))", "PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)"] | ["HMDB0007991", "HMDB0008022", "HMDB0008024", "HMDB0008083", "HMDB0008116", "HMDB0008147", "HMDB0008148", "HMDB0008178", "HMDB0008179", "HMDB0008211", "HMDB0008212", "HMDB0008243", "HMDB0008339", "HMDB0008370", "HMDB0008371", "HMDB0008403", "HMDB0008404", "HMDB0008434", "HMDB0008467", "HMDB0008498", "HMDB0008499", "HMDB0008660", "HMDB0008693", "HMDB0008725", "HMDB0113107", "HMDB0113132", "HMDB0113133", "HMDB0113159", "HMDB0113160", "HMDB0113187", "HMDB0113272", "HMDB0113327", "HMDB0113354", "HMDB0113355", "HMDB0113381", "HMDB0113382", "HMDB0113409", "HMDB0113410", "HMDB0113436", "HMDB0113464", "HMDB0113492", "HMDB0113574", "HMDB0113600", "HMDB0113625", "HMDB0113626", "HMDB0113652", "HMDB0113653", "HMDB0113678", "SLM:000000805", "SLM:000007821", "SLM:000008354", "SLM:000008366", "SLM:000008432", "SLM:000008586", "SLM:000008702", "SLM:000009637", "SLM:000009952", "SLM:000010567", "SLM:000010581", "SLM:000010608", "SLM:000010615", "SLM:000010647", "SLM:000010661", "SLM:000010733", "SLM:000010738", "SLM:000010839", "SLM:000010929", "SLM:000011048", "SLM:000011114", "SLM:000011122", "SLM:000011279", "SLM:000011369", "SLM:000011457", "SLM:000011602", "SLM:000011607", "SLM:000011673", "SLM:000011684", "SLM:000011748", "SLM:000012220", "SLM:000012229", "SLM:000012379", "SLM:000012391", "SLM:000012524", "SLM:000012599", "SLM:000012655", "SLM:000012859", "SLM:000013600", "SLM:000013943", "SLM:000030183", "SLM:000030258", "SLM:000030496", "SLM:000031718", "SLM:000032935", "SLM:000033827", "SLM:000033887", "SLM:000035512", "SLM:000036148", "SLM:000036497"] | C46H80NO8P+H (PC(2:0/36:6(18Z,21Z,24Z,2...) |
| 13 | C30H45NO5+Na | 103.926003 | 141.148010 | 0.000000 | 0.000000 | 103.926003 | True | 300.000000 | ["Hydroxybuprenorphine"] | ["HMDB0060547"] | C30H45NO5+Na (Hydroxybuprenorphine) |
| 14 | C45H82NO8P+H | -102.436310 | -99.989525 | 0.000000 | 0.000000 | 102.436310 | True | 300.000000 | ["1-Octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine", "PC(3:0/34:4(19Z,22Z,25Z,28Z))", "PC(13:0/24:4(9Z,12Z,15Z,18Z))", "PC(15:0/22:4(7Z,10Z,13Z,16Z))", "PC(17:0/20:4(5Z,8Z,11Z,14Z))", "PC(17:0/20:4(8Z,11Z,14Z,17Z))", "PC(18:4(6Z,9Z,12Z,15Z)/19:0)", "PC(20:4(5Z,8Z,11Z,14Z)/17:0)", "PC(20:4(8Z,11Z,14Z,17Z)/17:0)", "PC(22:4(7Z,10Z,13Z,16Z)/15:0)", "PC(24:4(9Z,12Z,15Z,18Z)/13:0)", "PC(34:4(19Z,22Z,25Z,28Z)/3:0)", "PE(2:0/38:4(23Z,26Z,29Z,32Z))", "PE(4:0/36:4(21Z,24Z,27Z,30Z))", "PE(6:0/34:4(19Z,22Z,25Z,28Z))", "PE(8:0/32:4(17Z,20Z,23Z,26Z))", "PE(10:0/30:4(15Z,18Z,21Z,24Z))", "PE(12:0/28:4(13Z,16Z,19Z,22Z))", "PE(14:0/26:4(11Z,14Z,17Z,20Z))", "PE(16:0/24:4(9Z,12Z,15Z,18Z))", "PE(18:0/22:4(7Z,10Z,13Z,16Z))", "PE(18:1(6Z)/22:3(10Z,13Z,16Z))", "PE(18:1(9Z)/22:3(10Z,13Z,16Z))", "PE(18:1(11E)/22:3(10Z,13Z,16Z))", "PE(18:1(11Z)/22:3(10Z,13Z,16Z))", "PE(18:2(9Z,12Z)/22:2(13Z,16Z))", "PE(18:3(6Z,9Z,12Z)/22:1(13Z))", "PE(18:3(9Z,12Z,15Z)/22:1(13Z))", "PE(18:4(6Z,9Z,12Z,15Z)/22:0)", "PE(20:0/20:4(5Z,8Z,11Z,14Z))", "PE(20:0/20:4(8Z,11Z,14Z,17Z))", "PE(20:1(11Z)/20:3(5Z,8Z,11Z))", "PE(20:1(11Z)/20:3(8Z,11Z,14Z))", "PE(20:2(11Z,14Z)/20:2(11Z,14Z))", "PE(20:3(5Z,8Z,11Z)/20:1(11Z))", "PE(20:3(8Z,11Z,14Z)/20:1(11Z))", "PE(20:3(11Z,14Z,17Z)/20:1(11Z))", "PE(20:4(5Z,8Z,11Z,14Z)/20:0)", "PE(20:4(8Z,11Z,14Z,17Z)/20:0)", "PE(22:0/18:4(6Z,9Z,12Z,15Z))", "PE(22:1(13Z)/18:3(6Z,9Z,12Z))", "PE(22:1(13Z)/18:3(9Z,12Z,15Z))", "PE(22:2(13Z,16Z)/18:2(9Z,11E))", "PE(22:2(13Z,16Z)/18:2(9Z,12Z))", "PE(22:3(10Z,13Z,16Z)/18:1(6Z))", "PE(22:3(10Z,13Z,16Z)/18:1(9Z))", "PE(22:3(10Z,13Z,16Z)/18:1(11E))", "PE(22:3(10Z,13Z,16Z)/18:1(11Z))", "PE(22:4(7Z,10Z,13Z,16Z)/18:0)", "PE(24:4(9Z,12Z,15Z,18Z)/16:0)", "PE(26:4(11Z,14Z,17Z,20Z)/14:0)", "PE(28:4(13Z,16Z,19Z,22Z)/12:0)", "PE(30:4(15Z,18Z,21Z,24Z)/10:0)", "PE(32:4(17Z,20Z,23Z,26Z)/8:0)", "PE(34:4(19Z,22Z,25Z,28Z)/6:0)", "PE-NMe2(16:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe2(18:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe2(18:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe2(18:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe2(18:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe2(18:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe2(18:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe2(18:2(9Z,12Z)/20:2(11Z,14Z))", "PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))", "PE-NMe2(18:3(9Z,12Z,15Z)/20:1(11Z))", "PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:0)", "PE-NMe2(20:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe2(20:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe2(20:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe2(20:2(11Z,14Z)/18:2(9Z,12Z))", "PE-NMe2(20:3(5Z,8Z,11Z)/18:1(9Z))", "PE-NMe2(20:3(5Z,8Z,11Z)/18:1(11Z))", "PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z))", "PE-NMe2(20:3(8Z,11Z,14Z)/18:1(11Z))", "PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:0)", "PE-NMe2(20:4(8Z,11Z,14Z,17Z)/18:0)", "PE-NMe2(22:4(7Z,10Z,13Z,16Z)/16:0)"] | ["C21481", "HMDB0007955", "HMDB0008625", "HMDB0009009", "HMDB0009107", "HMDB0009139", "HMDB0009172", "HMDB0009204", "HMDB0009234", "HMDB0009235", "HMDB0009265", "HMDB0009266", "HMDB0009297", "HMDB0009329", "HMDB0009362", "HMDB0009394", "HMDB0009427", "HMDB0009492", "HMDB0009523", "HMDB0009524", "HMDB0009555", "HMDB0009585", "HMDB0113956", "HMDB0113999", "HMDB0114000", "HMDB0114024", "HMDB0114025", "HMDB0114051", "HMDB0114052", "HMDB0114079", "HMDB0114107", "HMDB0114136", "HMDB0114164", "HMDB0114192", "HMDB0114219", "HMDB0114220", "HMDB0114247", "HMDB0114274", "HMDB0114275", "HMDB0114302", "HMDB0114303", "HMDB0114329", "HMDB0114357", "HMDB0114498", "SLM:000008128", "SLM:000008832", "SLM:000009309", "SLM:000010126", "SLM:000010703", "SLM:000010749", "SLM:000010990", "SLM:000011329", "SLM:000011389", "SLM:000011572", "SLM:000011873", "SLM:000013085", "SLM:000013096", "SLM:000013713", "SLM:000013776", "SLM:000014114", "SLM:000030340", "SLM:000030347", "SLM:000030380", "SLM:000030394", "SLM:000030419", "SLM:000030730", "SLM:000030741", "SLM:000030939", "SLM:000030972", "SLM:000031427", "SLM:000031493", "SLM:000031563", "SLM:000031575", "SLM:000031899", "SLM:000032227", "SLM:000032539", "SLM:000033166", "SLM:000033436", "SLM:000033579", "SLM:000033806", "SLM:000034035", "SLM:000034355", "SLM:000034384", "SLM:000034541", "SLM:000034685", "SLM:000034954", "SLM:000035031", "SLM:000035100", "SLM:000035252", "SLM:000035353", "SLM:000035683", "SLM:000035736", "SLM:000036048", "SLM:000036345"] | C45H82NO8P+H (1-Octadecanoyl-2-(7Z,10Z,...) |
| 15 | C45H79O8P+NH4 | -102.436310 | -99.989525 | 0.000000 | 0.000000 | 102.436310 | True | 300.000000 | ["PA(4:0/38:5(20Z,23Z,26Z,29Z,32Z))", "PA(4:0/38:5(23Z,26Z,29Z,32Z,35Z))", "PA(6:0/36:5(18Z,21Z,24Z,27Z,30Z))", "PA(6:0/36:5(21Z,24Z,27Z,30Z,33Z))", "PA(8:0/34:5(16Z,19Z,22Z,25Z,28Z))", "PA(10:0/32:5(14Z,17Z,20Z,23Z,26Z))", "PA(10:0/32:5(17Z,20Z,23Z,26Z,29Z))", "PA(12:0/30:5(12Z,15Z,18Z,21Z,24Z))", "PA(14:0/28:5(10Z,13Z,16Z,19Z,22Z))", "PA(14:0/28:5(13Z,16Z,19Z,22Z,25Z))", "PA(16:0/26:5(8Z,11Z,14Z,17Z,20Z))", "PA(16:0/26:5(11Z,14Z,17Z,20Z,23Z))", "PA(16:1(6Z)/26:4(11Z,14Z,17Z,20Z))", "PA(16:1(9Z)/26:4(11Z,14Z,17Z,20Z))", "PA(18:0/24:5(9Z,12Z,15Z,18Z,21Z))", "PA(18:1(6Z)/24:4(9Z,12Z,15Z,18Z))", "PA(18:1(11E)/24:4(9Z,12Z,15Z,18Z))", "PA(18:1(11Z)/24:4(9Z,12Z,15Z,18Z))", "PA(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))", "PA(20:0/22:5(4Z,7Z,10Z,13Z,16Z))", "PA(20:0/22:5(7Z,10Z,13Z,16Z,19Z))", "PA(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))", "PA(20:2(11Z,14Z)/22:3(10Z,13Z,16Z))", "PA(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))", "PA(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))", "PA(20:3(11Z,14Z,17Z)/22:2(13Z,16Z))", "PA(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))", "PA(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))", "PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)", "PA(22:0/20:5(5Z,8Z,11Z,14Z,17Z))", "PA(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))", "PA(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))", "PA(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))", "PA(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))", "PA(22:2(13Z,16Z)/20:3(11Z,14Z,17Z))", "PA(22:3(10Z,13Z,16Z)/20:2(11Z,14Z))", "PA(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))", "PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)", "PA(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)", "PA(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))", "PA(24:4(9Z,12Z,15Z,18Z)/18:1(6Z))", "PA(24:4(9Z,12Z,15Z,18Z)/18:1(9Z))", "PA(24:4(9Z,12Z,15Z,18Z)/18:1(11Z))", "PA(24:5(6Z,9Z,12Z,15Z,18Z)/18:0)", "PA(24:5(9Z,12Z,15Z,18Z,21Z)/18:0)", "PA(26:4(11Z,14Z,17Z,20Z)/16:1(6Z))", "PA(26:4(11Z,14Z,17Z,20Z)/16:1(9Z))", "PA(26:5(11Z,14Z,17Z,20Z,23Z)/16:0)", "PA(28:4(13Z,16Z,19Z,22Z)/14:1(9Z))", "PA(28:5(13Z,16Z,19Z,22Z,25Z)/14:0)", "PA(30:5(12Z,15Z,18Z,21Z,24Z)/12:0)", "PA(30:5(15Z,18Z,21Z,24Z,27Z)/12:0)", "PA(32:5(17Z,20Z,23Z,26Z,29Z)/10:0)", "PA(34:5(16Z,19Z,22Z,25Z,28Z)/8:0)", "PA(34:5(19Z,22Z,25Z,28Z,31Z)/8:0)", "PA(36:5(21Z,24Z,27Z,30Z,33Z)/6:0)", "PA(38:5(20Z,23Z,26Z,29Z,32Z)/4:0)"] | ["HMDB0115053", "HMDB0115086", "HMDB0115112", "HMDB0115138", "HMDB0115163", "HMDB0115190", "HMDB0115215", "HMDB0115258", "HMDB0115284", "HMDB0115285", "HMDB0115310", "HMDB0115335", "HMDB0115361", "HMDB0115466", "HMDB0115580", "HMDB0115595", "HMDB0116702", "HMDB0116709", "SLM:000020942", "SLM:000021065", "SLM:000021239", "SLM:000021292", "SLM:000021306", "SLM:000021345", "SLM:000021411", "SLM:000021532", "SLM:000021618", "SLM:000021787", "SLM:000021959", "SLM:000022019", "SLM:000022048", "SLM:000022156", "SLM:000022167", "SLM:000022419", "SLM:000022733", "SLM:000023061", "SLM:000023215", "SLM:000023605", "SLM:000023717", "SLM:000023928", "SLM:000024099", "SLM:000024223", "SLM:000024314", "SLM:000024339", "SLM:000024584", "SLM:000024662", "SLM:000024875", "SLM:000024893", "SLM:000024926", "SLM:000024939", "SLM:000025203", "SLM:000025609", "SLM:000025680", "SLM:000025771", "SLM:000025826", "SLM:000025937", "SLM:000026212", "SLM:000026253", "SLM:000026310", "SLM:000026567", "SLM:000026911", "SLM:000026924", "SLM:000496699", "SLM:000496702", "SLM:000496705", "SLM:000496708", "SLM:000497092", "SLM:000497250"] | C45H79O8P+NH4 (PA(4:0/38:5(20Z,23Z,26Z,2...) |
| 16 | C42H73O8P+NH4 | -98.761200 | -329.612946 | 0.000000 | 0.000000 | 98.761200 | True | 300.000000 | ["PA(3:0/36:5(18Z,21Z,24Z,27Z,30Z))", "PA(3:0/36:5(21Z,24Z,27Z,30Z,33Z))", "PA(13:0/26:5(8Z,11Z,14Z,17Z,20Z))", "PA(13:0/26:5(11Z,14Z,17Z,20Z,23Z))", "PA(15:0/24:5(6Z,9Z,12Z,15Z,18Z))", "PA(15:0/24:5(9Z,12Z,15Z,18Z,21Z))", "PA(17:0/22:5(4Z,7Z,10Z,13Z,16Z))", "PA(17:0/22:5(7Z,10Z,13Z,16Z,19Z))", "PA(19:0/20:5(5Z,8Z,11Z,14Z,17Z))", "PA(20:5(5Z,8Z,11Z,14Z,17Z)/19:0)", "PA(22:5(4Z,7Z,10Z,13Z,16Z)/17:0)", "PA(22:5(7Z,10Z,13Z,16Z,19Z)/17:0)", "PA(24:5(6Z,9Z,12Z,15Z,18Z)/15:0)", "PA(24:5(9Z,12Z,15Z,18Z,21Z)/15:0)", "PA(26:5(8Z,11Z,14Z,17Z,20Z)/13:0)", "PA(26:5(11Z,14Z,17Z,20Z,23Z)/13:0)", "PA(36:5(18Z,21Z,24Z,27Z,30Z)/3:0)", "PA(36:5(21Z,24Z,27Z,30Z,33Z)/3:0)"] | ["SLM:000021097", "SLM:000021139", "SLM:000021176", "SLM:000021250", "SLM:000021842", "SLM:000021854", "SLM:000022312", "SLM:000022321", "SLM:000023221", "SLM:000023561", "SLM:000023607", "SLM:000023690", "SLM:000023870", "SLM:000023930", "SLM:000024270", "SLM:000024316", "SLM:000024492", "SLM:000024566", "SLM:000024817", "SLM:000024877", "SLM:000026085", "SLM:000026094", "SLM:000026395", "SLM:000026712", "SLM:000026724", "SLM:000026782", "SLM:000027072", "SLM:000027114", "SLM:000496694", "SLM:000497169"] | C42H73O8P+NH4 (PA(3:0/36:5(18Z,21Z,24Z,2...) |
| 17 | C42H76NO8P+H | -98.761200 | -329.612946 | 0.000000 | 0.000000 | 98.761200 | True | 300.000000 | ["PC(2:0/32:4(17Z,20Z,23Z,26Z))", "PC(4:0/30:4(15Z,18Z,21Z,24Z))", "PC(6:0/28:4(13Z,16Z,19Z,22Z))", "PC(8:0/26:4(11Z,14Z,17Z,20Z))", "PC(12:0/22:4(7Z,10Z,13Z,16Z))", "PC(14:0/20:4(5Z,8Z,11Z,14Z))", "PC(14:0/20:4(8Z,11Z,14Z,17Z))", "PC(14:1(9Z)/20:3(5Z,8Z,11Z))", "PC(14:1(9Z)/20:3(8Z,11Z,14Z))", "PC(14:1(9Z)/20:3(11Z,14Z,17Z))", "PC(16:0/18:4(6Z,9Z,12Z,15Z))", "PC(16:1(6Z)/18:3(6Z,9Z,12Z))", "PC(16:1(6Z)/18:3(9Z,12Z,15Z))", "PC(16:1(9Z)/18:3(6Z,9Z,12Z))", "PC(16:1(9Z)/18:3(9Z,12Z,15Z))", "PC(16:2(9Z,12Z)/18:2(9Z,11E))", "PC(16:2(9Z,12Z)/18:2(9Z,12Z))", "PC(18:2(9Z,11E)/16:2(9Z,12Z))", "PC(18:2(9Z,12Z)/16:2(9Z,12Z))", "PC(18:3(6Z,9Z,12Z)/16:1(6Z))", "PC(18:3(6Z,9Z,12Z)/16:1(9Z))", "PC(18:3(9Z,12Z,15Z)/16:1(6Z))", "PC(18:3(9Z,12Z,15Z)/16:1(9Z))", "PC(18:4(6Z,9Z,12Z,15Z)/16:0)", "PC(20:3(5Z,8Z,11Z)/14:1(9Z))", "PC(20:3(8Z,11Z,14Z)/14:1(9Z))", "PC(20:3(11Z,14Z,17Z)/14:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/14:0)", "PC(20:4(8Z,11Z,14Z,17Z)/14:0)", "PC(22:4(7Z,10Z,13Z,16Z)/12:0)", "PC(24:4(9Z,12Z,15Z,18Z)/10:0)", "PC(26:4(11Z,14Z,17Z,20Z)/8:0)", "PC(28:4(13Z,16Z,19Z,22Z)/6:0)", "PC(30:4(15Z,18Z,21Z,24Z)/4:0)", "PC(32:4(17Z,20Z,23Z,26Z)/2:0)", "PE(3:0/34:4(19Z,22Z,25Z,28Z))", "PE(13:0/24:4(9Z,12Z,15Z,18Z))", "PE(15:0/22:4(7Z,10Z,13Z,16Z))", "PE(17:0/20:4(5Z,8Z,11Z,14Z))", "PE(17:0/20:4(8Z,11Z,14Z,17Z))", "PE(18:4(6Z,9Z,12Z,15Z)/19:0)", "PE(19:0/18:4(6Z,9Z,12Z,15Z))", "PE(20:4(5Z,8Z,11Z,14Z)/17:0)", "PE(20:4(8Z,11Z,14Z,17Z)/17:0)", "PE(22:4(7Z,10Z,13Z,16Z)/15:0)", "PE(24:4(9Z,12Z,15Z,18Z)/13:0)", "PE-NMe2(15:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe2(15:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe2(20:4(5Z,8Z,11Z,14Z)/15:0)", "PE-NMe2(20:4(8Z,11Z,14Z,17Z)/15:0)", "PE-NMe(14:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(16:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(16:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(16:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe(16:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(18:1(9Z)/18:3(6Z,9Z,12Z))", "PE-NMe(18:1(9Z)/18:3(9Z,12Z,15Z))", "PE-NMe(18:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe(18:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe(18:2(9Z,12Z)/18:2(9Z,12Z))", "PE-NMe(18:3(6Z,9Z,12Z)/18:1(9Z))", "PE-NMe(18:3(6Z,9Z,12Z)/18:1(11Z))", "PE-NMe(18:3(9Z,12Z,15Z)/18:1(9Z))", "PE-NMe(18:3(9Z,12Z,15Z)/18:1(11Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:0)", "PE-NMe(20:3(5Z,8Z,11Z)/16:1(9Z))", "PE-NMe(20:3(8Z,11Z,14Z)/16:1(9Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/16:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/16:0)", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/14:0)"] | ["HMDB0007883", "HMDB0007884", "HMDB0007914", "HMDB0007915", "HMDB0007976", "HMDB0008007", "HMDB0008008", "HMDB0008167", "HMDB0008200", "HMDB0008232", "HMDB0008362", "HMDB0008395", "HMDB0008426", "HMDB0008459", "HMDB0008910", "HMDB0009582", "HMDB0112993", "HMDB0113050", "HMDB0113070", "HMDB0113071", "HMDB0113092", "HMDB0113117", "HMDB0113118", "HMDB0113144", "HMDB0113145", "HMDB0113172", "HMDB0113199", "HMDB0113200", "HMDB0113227", "HMDB0113228", "HMDB0113255", "HMDB0113370", "HMDB0113398", "HMDB0113425", "HMDB0113453", "HMDB0113592", "HMDB0113928", "HMDB0113929", "HMDB0114326", "HMDB0114354", "HMDB0116725", "SLM:000008307", "SLM:000008371", "SLM:000009014", "SLM:000009479", "SLM:000009794", "SLM:000010760", "SLM:000010988", "SLM:000011041", "SLM:000011055", "SLM:000011120", "SLM:000011131", "SLM:000011378", "SLM:000011629", "SLM:000011689", "SLM:000011764", "SLM:000011929", "SLM:000011990", "SLM:000012003", "SLM:000012077", "SLM:000012081", "SLM:000012160", "SLM:000012226", "SLM:000012238", "SLM:000012347", "SLM:000012389", "SLM:000012522", "SLM:000012597", "SLM:000012858", "SLM:000013244", "SLM:000013290", "SLM:000013595", "SLM:000013942", "SLM:000013953", "SLM:000030547", "SLM:000031251", "SLM:000031717", "SLM:000031728", "SLM:000033122", "SLM:000033168", "SLM:000033409", "SLM:000033808", "SLM:000033991", "SLM:000034037", "SLM:000034366", "SLM:000035511", "SLM:000035522", "SLM:000035826", "SLM:000036147", "SLM:000036210", "SLM:000036549"] | C42H76NO8P+H (PC(2:0/32:4(17Z,20Z,23Z,2...) |
| 18 | C51H76O5+NH4 | -93.167908 | -inf | 0.000000 | 0.000000 | 93.167908 | True | 300.000000 | ["1,2-di-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol", "1,3-di-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol", "2,3-di-(6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoyl)-sn-glycerol"] | ["SLM:000130382", "SLM:000130383", "SLM:000130384"] | C51H76O5+NH4 (1,2-di-(6Z,9Z,12Z,15Z,18Z...) |
| 20 | C34H66O3+NH4 | -91.351913 | -113.379715 | 0.000000 | 0.000000 | 91.351913 | True | 300.000000 | ["Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H-pyran-2-one"] | ["HMDB0031034"] | C34H66O3+NH4 (Tetrahydro-6-(2-hydroxy-1...) |
| 19 | C34H69NO3+H | -91.351913 | -113.379715 | 0.000000 | 0.000000 | 91.351913 | True | 300.000000 | ["Cer(d14:0/20:0)", "Cer(d16:0/18:0)", "Cer(d18:0/16:0)", "Cer(d20:0/14:0)", "Cer(iso-d17:0/17:0)"] | ["HMDB0011760", "SLM:000000562", "SLM:000389785", "SLM:000396213", "SLM:000396259", "SLM:000396506", "SLM:000397211"] | C34H69NO3+H (Cer(d14:0/20:0)) |
| 21 | C16H18O6+Na | 82.633842 | 174.975357 | 0.000000 | 0.000000 | 82.633842 | True | 300.000000 | ["2-[2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propyl]benzene-1,3,5-triol", "2-[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]benzene-1,3,5-triol", "6-O-Desmethyl-mycophenolic acid", "trans-O-Methylgrandmarin"] | ["HMDB0039031", "HMDB0060788", "HMDB0127738", "HMDB0127825"] | C16H18O6+Na (2-[2-hydroxy-3-(3-hydroxy...) |
| 22 | C44H80NO8P+Na | -82.338898 | -118.007355 | 0.000000 | 0.000000 | 82.338898 | True | 300.000000 | ["PC(2:0/34:4(19Z,22Z,25Z,28Z))", "PC(4:0/32:4(17Z,20Z,23Z,26Z))", "PC(6:0/30:4(15Z,18Z,21Z,24Z))", "PC(12:0/24:4(9Z,12Z,15Z,18Z))", "PC(14:0/22:4(7Z,10Z,13Z,16Z))", "PC(14:1(9Z)/22:3(10Z,13Z,16Z))", "PC(16:0/20:4(5Z,8Z,11Z,14Z))", "PC(16:0/20:4(8Z,11Z,14Z,17Z))", "PC(16:1(6Z)/20:3(8Z,11Z,14Z))", "PC(16:1(6Z)/20:3(11Z,14Z,17Z))", "PC(16:1(9Z)/20:3(5Z,8Z,11Z))", "PC(16:1(9Z)/20:3(8Z,11Z,14Z))", "PC(18:0/18:4(6Z,9Z,12Z,15Z))", "PC(18:1(6Z)/18:3(9Z,12Z,15Z))", "PC(18:1(9Z)/18:3(6Z,9Z,12Z))", "PC(18:1(9Z)/18:3(9Z,12Z,15Z))", "PC(18:1(11E)/18:3(6Z,9Z,12Z))", "PC(18:1(11E)/18:3(9Z,12Z,15Z))", "PC(18:1(11Z)/18:3(6Z,9Z,12Z))", "PC(18:1(11Z)/18:3(9Z,12Z,15Z))", "PC(18:2(9Z,11E)/18:2(9Z,11E))", "PC(18:2(9Z,12Z)/18:2(9Z,11E))", "PC(18:2(9Z,12Z)/18:2(9Z,12Z))", "PC(18:3(6Z,9Z,12Z)/18:1(6Z))", "PC(18:3(6Z,9Z,12Z)/18:1(9Z))", "PC(18:3(6Z,9Z,12Z)/18:1(11E))", "PC(18:3(6Z,9Z,12Z)/18:1(11Z))", "PC(18:3(9Z,12Z,15Z)/18:1(6Z))", "PC(18:3(9Z,12Z,15Z)/18:1(9Z))", "PC(18:3(9Z,12Z,15Z)/18:1(11E))", "PC(18:3(9Z,12Z,15Z)/18:1(11Z))", "PC(18:4(6Z,9Z,12Z,15Z)/18:0)", "PC(20:2(11Z,14Z)/16:2(9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/16:1(9Z))", "PC(20:3(8Z,11Z,14Z)/16:1(6Z))", "PC(20:3(8Z,11Z,14Z)/16:1(9Z))", "PC(20:3(11Z,14Z,17Z)/16:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/16:0)", "PC(20:4(8Z,11Z,14Z,17Z)/16:0)", "PC(22:4(7Z,10Z,13Z,16Z)/14:0)", "PC(24:4(9Z,12Z,15Z,18Z)/12:0)", "PC(26:4(11Z,14Z,17Z,20Z)/10:0)", "PC(28:4(13Z,16Z,19Z,22Z)/8:0)", "PC(30:4(15Z,18Z,21Z,24Z)/6:0)", "PC(32:4(17Z,20Z,23Z,26Z)/4:0)", "PC(34:4(19Z,22Z,25Z,28Z)/2:0)", "PE(13:0/26:4(11Z,14Z,17Z,20Z))", "PE(15:0/24:4(9Z,12Z,15Z,18Z))", "PE(17:0/22:4(7Z,10Z,13Z,16Z))", "PE(18:4(6Z,9Z,12Z,15Z)/21:0)", "PE(19:0/20:4(8Z,11Z,14Z,17Z))", "PE(20:4(5Z,8Z,11Z,14Z)/19:0)", "PE(22:4(7Z,10Z,13Z,16Z)/17:0)", "PE(24:4(9Z,12Z,15Z,18Z)/15:0)", "PE(26:4(11Z,14Z,17Z,20Z)/13:0)", "PE(36:4(21Z,24Z,27Z,30Z)/3:0)", "PE-NMe2(15:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe2(22:4(7Z,10Z,13Z,16Z)/15:0)", "PE-NMe(16:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(18:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(18:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe(18:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(18:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:2(9Z,12Z)/20:2(11Z,14Z))", "PE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z))", "PE-NMe(18:3(9Z,12Z,15Z)/20:1(11Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:0)", "PE-NMe(20:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(20:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe(20:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe(20:2(11Z,14Z)/18:2(9Z,12Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:1(9Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:1(11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/18:1(9Z))", "PE-NMe(20:3(8Z,11Z,14Z)/18:1(11Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/18:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/18:0)", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/16:0)"] | ["HMDB0007889", "HMDB0007982", "HMDB0007983", "HMDB0008013", "HMDB0008014", "HMDB0008042", "HMDB0008073", "HMDB0008074", "HMDB0008106", "HMDB0008107", "HMDB0008138", "HMDB0008169", "HMDB0008170", "HMDB0008202", "HMDB0008203", "HMDB0008234", "HMDB0008365", "HMDB0008398", "HMDB0008429", "HMDB0008462", "HMDB0008623", "HMDB0113055", "HMDB0113098", "HMDB0113099", "HMDB0113123", "HMDB0113124", "HMDB0113150", "HMDB0113151", "HMDB0113178", "HMDB0113205", "HMDB0113234", "HMDB0113262", "HMDB0113290", "HMDB0113317", "HMDB0113318", "HMDB0113345", "HMDB0113372", "HMDB0113373", "HMDB0113400", "HMDB0113401", "HMDB0113427", "HMDB0113455", "HMDB0113595", "HMDB0113934", "HMDB0114497", "SLM:000000793", "SLM:000008038", "SLM:000008050", "SLM:000008295", "SLM:000008369", "SLM:000008446", "SLM:000008591", "SLM:000008603", "SLM:000009018", "SLM:000009488", "SLM:000009795", "SLM:000010110", "SLM:000010992", "SLM:000011003", "SLM:000011042", "SLM:000011056", "SLM:000011086", "SLM:000011127", "SLM:000011210", "SLM:000011392", "SLM:000011620", "SLM:000011674", "SLM:000011687", "SLM:000011931", "SLM:000011951", "SLM:000011958", "SLM:000011991", "SLM:000012156", "SLM:000012304", "SLM:000012316", "SLM:000012342", "SLM:000012469", "SLM:000012526", "SLM:000012601", "SLM:000012865", "SLM:000013252", "SLM:000013296", "SLM:000013950", "SLM:000030501", "SLM:000030658", "SLM:000030732", "SLM:000031258", "SLM:000031725", "SLM:000032703", "SLM:000033172", "SLM:000033404", "SLM:000033800", "SLM:000034361", "SLM:000035834", "SLM:000036154"] | C44H80NO8P+Na (PC(2:0/34:4(19Z,22Z,25Z,2...) |
| 23 | C47H68O5+NH4 | -77.248817 | -218.783936 | 0.000000 | 0.000000 | 77.248817 | True | 300.000000 | ["1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol", "1,3-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol", "2,3-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol", "DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)", "DG(22:6n3/0:0/22:6n3)"] | ["HMDB0007788", "HMDB0056386", "SLM:000125643", "SLM:000125644", "SLM:000125645"] | C47H68O5+NH4 (1,2-di-(4Z,7Z,10Z,13Z,16Z...) |
| 24 | C35H66NO9P+H | 76.057587 | 138.150635 | 0.000000 | 0.000000 | 76.057587 | True | 300.000000 | ["PS(O-13:0/16:2(9Z,12Z))", "PS(P-13:0/16:1(6Z))", "PS(P-13:0/16:1(9Z))", "PS(P-15:0/14:1(9Z))"] | ["SLM:000043499", "SLM:000050848", "SLM:000050862", "SLM:000051104"] | C35H66NO9P+H (PS(O-13:0/16:2(9Z,12Z))) |
| 26 | C32H57O9P+NH4 | 74.188477 | 96.383163 | 0.000000 | 0.000000 | 74.188477 | True | 300.000000 | ["PG(0:0/26:4(11Z,14Z,17Z,20Z))", "PG(26:4(11Z,14Z,17Z,20Z)/0:0)"] | ["SLM:000043054", "SLM:000046353"] | C32H57O9P+NH4 (PG(0:0/26:4(11Z,14Z,17Z,2...) |
| 25 | C32H60NO9P+H | 74.188477 | 96.383163 | 0.000000 | 0.000000 | 74.188477 | True | 300.000000 | ["PS(O-18:2(9Z,12Z)/8:0)", "PS(P-18:1(9Z)/8:0)", "PS(P-18:1(11Z)/8:0)", "PS(P-18:1(13Z)/8:0)", "PS(P-20:1(11Z)/6:0)", "PS(P-22:1(13Z)/4:0)"] | ["SLM:000043946", "SLM:000050955", "SLM:000051039", "SLM:000051186", "SLM:000051279", "SLM:000051519"] | C32H60NO9P+H (PS(O-18:2(9Z,12Z)/8:0)) |
| 28 | C29H51O8P+NH4 | 74.050751 | 103.602837 | 0.000000 | 0.000000 | 74.050751 | True | 300.000000 | ["PA(4:0/22:3(10Z,13Z,16Z))", "PA(6:0/20:3(8Z,11Z,14Z))", "PA(6:0/20:3(11Z,14Z,17Z))", "PA(8:0/18:3(6Z,9Z,12Z))", "PA(8:0/18:3(9Z,12Z,15Z))", "PA(18:3(6Z,9Z,12Z)/8:0)", "PA(18:3(9Z,12Z,15Z)/8:0)", "PA(20:3(8Z,11Z,14Z)/6:0)", "PA(20:3(11Z,14Z,17Z)/6:0)", "PA(22:3(10Z,13Z,16Z)/4:0)"] | ["SLM:000020994", "SLM:000021398", "SLM:000024086", "SLM:000024714", "SLM:000025033", "SLM:000025579", "SLM:000026287", "SLM:000026329", "SLM:000026635", "SLM:000026647"] | C29H51O8P+NH4 (PA(4:0/22:3(10Z,13Z,16Z))) |
| 27 | C29H54NO8P+H | 74.050751 | 103.602837 | 0.000000 | 0.000000 | 74.050751 | True | 300.000000 | ["PC(3:0/18:2(9Z,11E))", "PC(3:0/18:2(9Z,12Z))", "PC(18:2(9Z,11E)/3:0)", "PC(18:2(9Z,12Z)/3:0)", "PE(2:0/22:2(13Z,16Z))", "PE(4:0/20:2(11Z,14Z))", "PE(6:0/18:2(9Z,11E))", "PE(6:0/18:2(9Z,12Z))", "PE(8:0/16:2(9Z,12Z))", "PE(16:2(9Z,12Z)/8:0)", "PE(18:2(9Z,11E)/6:0)", "PE(18:2(9Z,12Z)/6:0)", "PE(20:2(11Z,14Z)/4:0)", "PE(22:2(13Z,16Z)/2:0)"] | ["SLM:000011785", "SLM:000012180", "SLM:000013797", "SLM:000013802", "SLM:000030871", "SLM:000031502", "SLM:000034198", "SLM:000034518", "SLM:000034593", "SLM:000034937", "SLM:000035008", "SLM:000035757", "SLM:000035762", "SLM:000036077"] | C29H54NO8P+H (PC(3:0/18:2(9Z,11E))) |
| 29 | C42H82NO11P+Na | 72.068436 | 130.790039 | 0.000000 | 0.000000 | 72.068436 | True | 300.000000 | ["IPC(d18:0/18:1(9Z))"] | ["SLM:000508918"] | C42H82NO11P+Na (IPC(d18:0/18:1(9Z))) |
| ion | scores | logfoldchanges | pvals | pvals_adj | abs_scores | significance | pvals_adj_nlog10 | moleculeNames | moleculeIds | first_mol_name_short | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | C45H91O7P+H | 126.592369 | inf | 0.000000 | 0.000000 | 126.592369 | True | 300.000000 | ["PA(O-14:0/28:0)", "PA(O-16:0/26:0)", "PA(O-18:0/24:0)", "PA(O-20:0/22:0)", "PA(O-22:0/20:0)", "PA(O-24:0/18:0)", "PA(O-26:0/16:0)", "PA(O-28:0/14:0)", "PA(O-30:0/12:0)"] | ["SLM:000045671", "SLM:000045749", "SLM:000045835", "SLM:000045914", "SLM:000046004", "SLM:000046083", "SLM:000046159", "SLM:000046238", "SLM:000046310"] | C45H91O7P+H (PA(O-14:0/28:0)) |
| 1 | C52H88O5+H | 126.434639 | inf | 0.000000 | 0.000000 | 126.434639 | True | 300.000000 | ["TG(O-13:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "TG(O-13:0/16:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "TG(O-13:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))", "TG(O-13:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))", "TG(O-13:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))", "TG(O-13:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))", "TG(O-13:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:2(9Z,12Z))", "TG(O-13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))"] | ["SLM:000134645", "SLM:000134646", "SLM:000134647", "SLM:000134648", "SLM:000134649", "SLM:000134650", "SLM:000134651", "SLM:000134652"] | C52H88O5+H (TG(O-13:0/14:1(9Z)/22:6(4...) |
| 2 | C31H44O6+NH4 | 122.709846 | 583.578369 | 0.000000 | 0.000000 | 122.709846 | True | 300.000000 | ["Carindone", "Glyuranolide"] | ["HMDB0038189", "HMDB0038745"] | C31H44O6+NH4 (Carindone) |
| 3 | C39H73O8P+Na | -94.295921 | -220.468002 | 0.000000 | 0.000000 | 94.295921 | True | 300.000000 | ["9-Octadecenoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester", "PA(14:0/22:2(13Z,16Z))", "PA(14:1(9Z)/22:1(13Z))", "PA(16:0/20:2(11Z,14Z))", "PA(16:1(6Z)/20:1(11Z))", "PA(16:1(9Z)/20:1(11Z))", "PA(16:2(9Z,12Z)/20:0)", "PA(18:0/18:2(9Z,11E))", "PA(18:0/18:2(9Z,12Z))", "PA(18:1(6Z)/18:1(6Z))", "PA(18:1(6Z)/18:1(9Z))", "PA(18:1(6Z)/18:1(11E))", "PA(18:1(6Z)/18:1(11Z))", "PA(18:1(9Z)/18:1(6Z))", "PA(18:1(9Z)/18:1(9Z))", "PA(18:1(9Z)/18:1(11E))", "PA(18:1(9Z)/18:1(11Z))", "PA(18:1(11E)/18:1(6Z))", "PA(18:1(11E)/18:1(9Z))", "PA(18:1(11E)/18:1(11E))", "PA(18:1(11E)/18:1(11Z))", "PA(18:1(11Z)/18:1(6Z))", "PA(18:1(11Z)/18:1(9Z))", "PA(18:1(11Z)/18:1(11E))", "PA(18:1(11Z)/18:1(11Z))", "PA(18:2(9Z,11E)/18:0)", "PA(18:2(9Z,12Z)/18:0)", "PA(20:0/16:2(9Z,12Z))", "PA(20:1(11Z)/16:1(6Z))", "PA(20:1(11Z)/16:1(9Z))", "PA(20:2(11Z,14Z)/16:0)", "PA(22:1(13Z)/14:1(9Z))", "PA(22:2(13Z,16Z)/14:0)"] | ["HMDB0007861", "HMDB0007862", "HMDB0007863", "HMDB0007864", "HMDB0007865", "HMDB0031129", "HMDB0114804", "HMDB0114951", "HMDB0115095", "HMDB0115271", "HMDB0115296", "HMDB0115510", "HMDB0115535", "HMDB0116699", "SLM:000000677", "SLM:000000679", "SLM:000000784", "SLM:000021023", "SLM:000021056", "SLM:000021070", "SLM:000021476", "SLM:000021529", "SLM:000021543", "SLM:000021570", "SLM:000021609", "SLM:000021623", "SLM:000022117", "SLM:000022177", "SLM:000024102", "SLM:000024175", "SLM:000024182", "SLM:000024228", "SLM:000024796", "SLM:000025103", "SLM:000025189", "SLM:000025206", "SLM:000025279", "SLM:000025361", "SLM:000025426", "SLM:000025433", "SLM:000025465", "SLM:000025947", "SLM:000026215", "SLM:000026566", "SLM:000026571", "SLM:000026926"] | C39H73O8P+Na (9-Octadecenoic acid 1-[(p...) |
| 4 | C44H86NO11P+H | 89.148453 | 166.160248 | 0.000000 | 0.000000 | 89.148453 | True | 300.000000 | ["IPC(d18:0/20:1(11Z))", "IPC(d20:0/18:1(9Z))"] | ["SLM:000508919", "SLM:000508960"] | C44H86NO11P+H (IPC(d18:0/20:1(11Z))) |
| 5 | C49H83NO8+Na | 89.014793 | 165.941223 | 0.000000 | 0.000000 | 89.014793 | True | 300.000000 | ["GlcCer(d15:1(4E)/28:6(10Z,13Z,16Z,19Z,22Z,25Z))", "GlcCer(iso-d17:1(4E)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))"] | ["SLM:000396160", "SLM:000399545"] | C49H83NO8+Na (GlcCer(d15:1(4E)/28:6(10Z...) |
| 6 | C43H63NO7+NH4 | -88.857086 | -208.946091 | 0.000000 | 0.000000 | 88.857086 | True | 300.000000 | ["Spirolide C"] | ["HMDB0038344"] | C43H63NO7+NH4 (Spirolide C) |
| 8 | C37H74NO8P+H | 74.100105 | 87.396805 | 0.000000 | 0.000000 | 74.100105 | True | 300.000000 | ["3-Sn-phosphatidylethanolamine", "PC(3:0/26:0)", "PC(8:0/21:0)", "PC(10:0/19:0)", "PC(12:0/17:0)", "PC(13:0/16:0)", "PC(14:0/15:0)", "PC(15:0/14:0)", "PC(16:0/13:0)", "PC(17:0/12:0)", "PC(19:0/10:0)", "PC(21:0/8:0)", "PC(26:0/3:0)", "PE(2:0/30:0)", "PE(4:0/28:0)", "PE(6:0/26:0)", "PE(8:0/24:0)", "PE(10:0/22:0)", "PE(12:0/20:0)", "PE(13:0/19:0)", "PE(14:0/18:0)", "PE(15:0/17:0)", "PE(16:0/16:0)", "PE(17:0/15:0)", "PE(18:0/14:0)", "PE(19:0/13:0)", "PE(20:0/12:0)", "PE(22:0/10:0)", "PE(24:0/8:0)", "PE(26:0/6:0)", "PE(28:0/4:0)", "PE(30:0/2:0)", "PE-NMe2(14:0/16:0)", "PE-NMe2(15:0/15:0)", "PE-NMe2(16:0/14:0)", "PE-NMe(15:0/16:0)", "PE-NMe(16:0/15:0)"] | ["HMDB0007868", "HMDB0007932", "HMDB0008826", "HMDB0008923", "HMDB0008986", "HMDB0029174", "HMDB0112964", "HMDB0113041", "HMDB0113841", "HMDB0113845", "HMDB0113940", "SLM:000008144", "SLM:000008864", "SLM:000009324", "SLM:000012724", "SLM:000012832", "SLM:000012878", "SLM:000013041", "SLM:000013111", "SLM:000013201", "SLM:000013210", "SLM:000013274", "SLM:000013415", "SLM:000013654", "SLM:000013744", "SLM:000013814", "SLM:000013918", "SLM:000013978", "SLM:000014130", "SLM:000030565", "SLM:000031225", "SLM:000031272", "SLM:000031694", "SLM:000031754", "SLM:000034909", "SLM:000034998", "SLM:000035070", "SLM:000035140", "SLM:000035219", "SLM:000035300", "SLM:000035379", "SLM:000035487", "SLM:000035547", "SLM:000035621", "SLM:000035774", "SLM:000035790", "SLM:000035864", "SLM:000035925", "SLM:000036020", "SLM:000036098", "SLM:000036121", "SLM:000036168", "SLM:000036333", "SLM:000036411", "SLM:000036477", "SLM:000036567"] | C37H74NO8P+H (3-Sn-phosphatidylethanola...) |
| 7 | C37H71O8P+NH4 | 74.100105 | 87.396805 | 0.000000 | 0.000000 | 74.100105 | True | 300.000000 | ["1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate", "9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-(phosphonoxy)ethyl ester", "PA(8:0/26:1(17Z))", "PA(10:0/24:1(15Z))", "PA(12:0/22:1(13Z))", "PA(14:0/20:1(11Z))", "PA(14:1(9Z)/20:0)", "PA(16:0/18:1(6Z))", "PA(16:0/18:1(9Z))", "PA(16:0/18:1(11E))", "PA(16:0/18:1(11Z))", "PA(16:1(6Z)/18:0)", "PA(16:1(9Z)/18:0)", "PA(18:0/16:1(6Z))", "PA(18:0/16:1(9Z))", "PA(18:1(6Z)/16:0)", "PA(18:1(9Z)/16:0)", "PA(18:1(11E)/16:0)", "PA(18:1(11Z)/16:0)", "PA(20:0/14:1(9Z))", "PA(20:1(11Z)/14:0)", "PA(22:1(13Z)/12:0)", "PA(24:1(15Z)/10:0)", "PA(26:1(17Z)/8:0)"] | ["C13889", "HMDB0007858", "HMDB0007859", "HMDB0031130", "HMDB0114877", "HMDB0114899", "HMDB0114924", "HMDB0115062", "HMDB0115091", "SLM:000000422", "SLM:000000636", "SLM:000021081", "SLM:000021564", "SLM:000021634", "SLM:000022182", "SLM:000022575", "SLM:000022903", "SLM:000024164", "SLM:000024239", "SLM:000025268", "SLM:000025407", "SLM:000025678", "SLM:000025831", "SLM:000025950", "SLM:000026210", "SLM:000026217", "SLM:000026249", "SLM:000026558", "SLM:000026572", "SLM:000026620", "SLM:000026919"] | C37H71O8P+NH4 (1-Hexadecanoyl-2-(9Z-octa...) |
| 10 | C42H79O7P+NH4 | -66.783661 | -95.265533 | 0.000000 | 0.000000 | 66.783661 | True | 300.000000 | ["PA(O-17:0/22:3(10Z,13Z,16Z))", "PA(P-17:0/22:2(13Z,16Z))", "PA(P-18:2(9Z,12Z)/21:0)"] | ["SLM:000045369", "SLM:000046943", "SLM:000047072"] | C42H79O7P+NH4 (PA(O-17:0/22:3(10Z,13Z,16...) |
| 9 | C42H82NO7P+H | -66.783661 | -95.265533 | 0.000000 | 0.000000 | 66.783661 | True | 300.000000 | ["PC(16:0/P-18:1(9Z))", "PC(16:0/P-18:1(11Z))", "PC(16:1(9Z)/P-18:0)", "PC(18:1(9Z)/P-16:0)", "PC(18:1(11Z)/P-16:0)", "PC(O-14:0/20:2(11Z,14Z))", "PC(O-16:0/18:2(9Z,11E))", "PC(O-16:0/18:2(9Z,12Z))", "PC(O-18:0/16:2(9Z,12Z))", "PC(O-18:1(9Z)/16:1(6Z))", "PC(O-18:1(9Z)/16:1(9Z))", "PC(O-18:1(11Z)/16:1(6Z))", "PC(O-18:1(11Z)/16:1(9Z))", "PC(O-18:1(13Z)/16:1(6Z))", "PC(O-18:1(13Z)/16:1(9Z))", "PC(O-18:2(9Z,12Z)/16:0)", "PC(O-20:1(11Z)/14:1(9Z))", "PC(P-14:0/20:1(11Z))", "PC(P-16:0/18:1(6Z))", "PC(P-16:0/18:1(9Z))", "PC(P-16:0/18:1(11E))", "PC(P-16:0/18:1(11Z))", "PC(P-18:0/16:1(6Z))", "PC(P-18:0/16:1(9Z))", "PC(P-18:1(9Z)/16:0)", "PC(P-18:1(11Z)/16:0)", "PC(P-18:1(13Z)/16:0)", "PC(P-20:0/14:1(9Z))", "PC(P-20:1(11Z)/14:0)", "PC(P-22:1(13Z)/12:0)", "PE(O-15:0/22:2(13Z,16Z))", "PE(O-17:0/20:2(11Z,14Z))", "PE(O-18:2(9Z,12Z)/19:0)", "PE(P-13:0/24:1(15Z))", "PE(P-15:0/22:1(13Z))", "PE(P-17:0/20:1(11Z))", "PE(P-18:1(9Z)/19:0)", "PE(P-18:1(11Z)/19:0)", "PE(P-18:1(13Z)/19:0)", "PE(P-20:1(11Z)/17:0)", "PE(P-22:1(13Z)/15:0)"] | ["HMDB0007996", "HMDB0007997", "HMDB0008028", "HMDB0008093", "HMDB0008126", "HMDB0011151", "HMDB0011209", "HMDB0011210", "HMDB0011240", "HMDB0011272", "HMDB0011305", "SLM:000027284", "SLM:000027348", "SLM:000027362", "SLM:000027588", "SLM:000027602", "SLM:000027774", "SLM:000027828", "SLM:000027842", "SLM:000028156", "SLM:000028161", "SLM:000028318", "SLM:000028430", "SLM:000028838", "SLM:000029070", "SLM:000029212", "SLM:000048045", "SLM:000048116", "SLM:000048271", "SLM:000048356", "SLM:000048596", "SLM:000048746", "SLM:000048851", "SLM:000048858", "SLM:000048891", "SLM:000048905", "SLM:000049050", "SLM:000049064", "SLM:000049177", "SLM:000049388", "SLM:000049465", "SLM:000049512", "SLM:000049596", "SLM:000049623", "SLM:000049699", "SLM:000049760", "SLM:000049836", "SLM:000049855", "SLM:000050076"] | C42H82NO7P+H (PC(16:0/P-18:1(9Z))) |
| 11 | C46H84NO8P+Na | -62.364243 | -161.183563 | 0.000000 | 0.000000 | 62.364243 | True | 300.000000 | ["PC(2:0/36:4(21Z,24Z,27Z,30Z))", "PC(4:0/34:4(19Z,22Z,25Z,28Z))", "PC(6:0/32:4(17Z,20Z,23Z,26Z))", "PC(10:0/28:4(13Z,16Z,19Z,22Z))", "PC(12:0/26:4(11Z,14Z,17Z,20Z))", "PC(14:0/24:4(9Z,12Z,15Z,18Z))", "PC(16:0/22:4(7Z,10Z,13Z,16Z))", "PC(16:1(9Z)/22:3(10Z,13Z,16Z))", "PC(16:2(9Z,12Z)/22:2(13Z,16Z))", "PC(18:0/20:4(5Z,8Z,11Z,14Z))", "PC(18:0/20:4(8Z,11Z,14Z,17Z))", "PC(18:1(6Z)/20:3(8Z,11Z,14Z))", "PC(18:1(9Z)/20:3(5Z,8Z,11Z))", "PC(18:1(9Z)/20:3(8Z,11Z,14Z))", "PC(18:1(9Z)/20:3(11Z,14Z,17Z))", "PC(18:1(11E)/20:3(8Z,11Z,14Z))", "PC(18:1(11Z)/20:3(5Z,8Z,11Z))", "PC(18:1(11Z)/20:3(8Z,11Z,14Z))", "PC(18:1(11Z)/20:3(11Z,14Z,17Z))", "PC(18:2(9Z,11E)/20:2(11Z,14Z))", "PC(18:2(9Z,12Z)/20:2(11Z,14Z))", "PC(18:3(6Z,9Z,12Z)/20:1(11Z))", "PC(18:3(9Z,12Z,15Z)/20:1(11Z))", "PC(18:4(6Z,9Z,12Z,15Z)/20:0)", "PC(20:0/18:4(6Z,9Z,12Z,15Z))", "PC(20:1(11Z)/18:3(6Z,9Z,12Z))", "PC(20:1(11Z)/18:3(9Z,12Z,15Z))", "PC(20:2(11Z,14Z)/18:2(9Z,11E))", "PC(20:2(11Z,14Z)/18:2(9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/18:1(9Z))", "PC(20:3(5Z,8Z,11Z)/18:1(11Z))", "PC(20:3(8Z,11Z,14Z)/18:1(9Z))", "PC(20:3(8Z,11Z,14Z)/18:1(11E))", "PC(20:3(8Z,11Z,14Z)/18:1(11Z))", "PC(20:3(11Z,14Z,17Z)/18:1(6Z))", "PC(20:3(11Z,14Z,17Z)/18:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/18:0)", "PC(20:4(8Z,11Z,14Z,17Z)/18:0)", "PC(22:3(10Z,13Z,16Z)/16:1(6Z))", "PC(22:3(10Z,13Z,16Z)/16:1(9Z))", "PC(22:4(7Z,10Z,13Z,16Z)/16:0)", "PC(24:4(9Z,12Z,15Z,18Z)/14:0)", "PC(26:4(11Z,14Z,17Z,20Z)/12:0)", "PC(32:4(17Z,20Z,23Z,26Z)/6:0)", "PC(34:4(19Z,22Z,25Z,28Z)/4:0)", "PE(3:0/38:4(23Z,26Z,29Z,32Z))", "PE(13:0/28:4(13Z,16Z,19Z,22Z))", "PE(15:0/26:4(11Z,14Z,17Z,20Z))", "PE(17:0/24:4(9Z,12Z,15Z,18Z))", "PE(19:0/22:4(7Z,10Z,13Z,16Z))", "PE(20:4(5Z,8Z,11Z,14Z)/21:0)", "PE(21:0/20:4(5Z,8Z,11Z,14Z))", "PE(21:0/20:4(8Z,11Z,14Z,17Z))", "PE(22:4(7Z,10Z,13Z,16Z)/19:0)", "PE(24:4(9Z,12Z,15Z,18Z)/17:0)", "PE(28:4(13Z,16Z,19Z,22Z)/13:0)", "PE(38:4(23Z,26Z,29Z,32Z)/3:0)", "PE-NMe(18:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:2(9Z,12Z)/22:2(13Z,16Z))", "PE-NMe(18:3(6Z,9Z,12Z)/22:1(13Z))", "PE-NMe(18:3(9Z,12Z,15Z)/22:1(13Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:0)", "PE-NMe(20:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(20:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(20:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(20:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(20:2(11Z,14Z)/20:2(11Z,14Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:1(11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/20:1(11Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/20:0)", "PE-NMe(22:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(22:1(13Z)/18:3(6Z,9Z,12Z))", "PE-NMe(22:1(13Z)/18:3(9Z,12Z,15Z))", "PE-NMe(22:2(13Z,16Z)/18:2(9Z,12Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:0)"] | ["HMDB0007988", "HMDB0008048", "HMDB0008049", "HMDB0008079", "HMDB0008080", "HMDB0008112", "HMDB0008113", "HMDB0008145", "HMDB0008176", "HMDB0008209", "HMDB0008241", "HMDB0008273", "HMDB0008304", "HMDB0008305", "HMDB0008336", "HMDB0008367", "HMDB0008368", "HMDB0008400", "HMDB0008401", "HMDB0008431", "HMDB0008464", "HMDB0008626", "HMDB0113104", "HMDB0113186", "HMDB0113213", "HMDB0113242", "HMDB0113270", "HMDB0113296", "HMDB0113297", "HMDB0113323", "HMDB0113324", "HMDB0113351", "HMDB0113379", "HMDB0113407", "HMDB0113434", "HMDB0113462", "HMDB0113519", "HMDB0113544", "HMDB0113545", "HMDB0113571", "HMDB0113597", "SLM:000007960", "SLM:000007974", "SLM:000008046", "SLM:000008297", "SLM:000008356", "SLM:000008370", "SLM:000008442", "SLM:000008447", "SLM:000008512", "SLM:000008524", "SLM:000008558", "SLM:000009804", "SLM:000010111", "SLM:000011009", "SLM:000011206", "SLM:000011383", "SLM:000011635", "SLM:000011642", "SLM:000011719", "SLM:000011945", "SLM:000012043", "SLM:000012114", "SLM:000012187", "SLM:000012271", "SLM:000012528", "SLM:000012605", "SLM:000012670", "SLM:000012819", "SLM:000012931", "SLM:000013249", "SLM:000013300", "SLM:000013549", "SLM:000013560", "SLM:000013957", "SLM:000030510", "SLM:000031369", "SLM:000031443", "SLM:000031732", "SLM:000032861", "SLM:000033167", "SLM:000033804", "SLM:000034307", "SLM:000034353", "SLM:000035432", "SLM:000035443", "SLM:000035526", "SLM:000035831", "SLM:000036108", "SLM:000036214", "SLM:000036512"] | C46H84NO8P+Na (PC(2:0/36:4(21Z,24Z,27Z,3...) |
| 12 | C38H78NO7P+H | -59.557308 | -126.313240 | 0.000000 | 0.000000 | 59.557308 | True | 300.000000 | ["PC(0:0/30:0)", "PC(30:0/0:0)", "PC(O-13:0/17:0)", "PC(O-14:0/16:0)", "PC(O-15:0/15:0)", "PC(O-16:0/14:0)", "PC(O-17:0/13:0)", "PC(O-18:0/12:0)", "PC(O-20:0/10:0)", "PC(O-22:0/8:0)", "PC(O-24:0/6:0)", "PC(O-26:0/4:0)", "PC(O-28:0/2:0)", "PC(o-14:0/16:0)", "PE(O-13:0/20:0)", "PE(O-14:0/19:0)", "PE(O-15:0/18:0)", "PE(O-16:0/17:0)", "PE(O-17:0/16:0)", "PE(O-18:0/15:0)", "PE(O-20:0/13:0)", "PE(O-30:0/3:0)"] | ["HMDB0013341", "SLM:000014218", "SLM:000020774", "SLM:000027165", "SLM:000027212", "SLM:000027399", "SLM:000027460", "SLM:000027630", "SLM:000027705", "SLM:000027939", "SLM:000028007", "SLM:000028086", "SLM:000028181", "SLM:000028243", "SLM:000028326", "SLM:000028411", "SLM:000028490", "SLM:000028646", "SLM:000028894", "SLM:000029130", "SLM:000029386", "SLM:000029461", "SLM:000029561", "SLM:000029608", "SLM:000029715", "SLM:000029776", "SLM:000029932", "SLM:000030017"] | C38H78NO7P+H (PC(0:0/30:0)) |
| 13 | C38H75O7P+NH4 | -59.557308 | -126.313240 | 0.000000 | 0.000000 | 59.557308 | True | 300.000000 | ["PA(O-13:0/22:1(13Z))", "PA(O-15:0/20:1(11Z))", "PA(O-17:0/18:1(6Z))", "PA(O-17:0/18:1(9Z))", "PA(O-17:0/18:1(11E))", "PA(O-17:0/18:1(11Z))", "PA(O-18:1(9Z)/17:0)", "PA(O-18:1(11Z)/17:0)", "PA(O-18:1(13Z)/17:0)", "PA(O-20:1(11Z)/15:0)", "PA(O-22:1(13Z)/13:0)", "PA(P-13:0/22:0)", "PA(P-14:0/21:0)", "PA(P-15:0/20:0)", "PA(P-16:0/19:0)", "PA(P-17:0/18:0)", "PA(P-18:0/17:0)", "PA(P-20:0/15:0)", "PA(P-22:0/13:0)"] | ["SLM:000044904", "SLM:000044980", "SLM:000045041", "SLM:000045066", "SLM:000045113", "SLM:000045136", "SLM:000045211", "SLM:000045286", "SLM:000045306", "SLM:000045353", "SLM:000045370", "SLM:000045377", "SLM:000045410", "SLM:000045424", "SLM:000045546", "SLM:000045593", "SLM:000046509", "SLM:000046751", "SLM:000046999", "SLM:000047171", "SLM:000047246", "SLM:000047260", "SLM:000047321", "SLM:000047477", "SLM:000047586", "SLM:000047633", "SLM:000047792"] | C38H75O7P+NH4 (PA(O-13:0/22:1(13Z))) |
| 14 | C43H75NO4+Na | -59.551456 | -126.308434 | 0.000000 | 0.000000 | 59.551456 | True | 300.000000 | ["Cer(iso-t17:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))"] | ["SLM:000396395"] | C43H75NO4+Na (Cer(iso-t17:0/26:6(8Z,11Z...) |
| 15 | C44H80NO8P+Na | -57.008823 | -102.322548 | 0.000000 | 0.000000 | 57.008823 | True | 300.000000 | ["PC(2:0/34:4(19Z,22Z,25Z,28Z))", "PC(4:0/32:4(17Z,20Z,23Z,26Z))", "PC(6:0/30:4(15Z,18Z,21Z,24Z))", "PC(12:0/24:4(9Z,12Z,15Z,18Z))", "PC(14:0/22:4(7Z,10Z,13Z,16Z))", "PC(14:1(9Z)/22:3(10Z,13Z,16Z))", "PC(16:0/20:4(5Z,8Z,11Z,14Z))", "PC(16:0/20:4(8Z,11Z,14Z,17Z))", "PC(16:1(6Z)/20:3(8Z,11Z,14Z))", "PC(16:1(6Z)/20:3(11Z,14Z,17Z))", "PC(16:1(9Z)/20:3(5Z,8Z,11Z))", "PC(16:1(9Z)/20:3(8Z,11Z,14Z))", "PC(18:0/18:4(6Z,9Z,12Z,15Z))", "PC(18:1(6Z)/18:3(9Z,12Z,15Z))", "PC(18:1(9Z)/18:3(6Z,9Z,12Z))", "PC(18:1(9Z)/18:3(9Z,12Z,15Z))", "PC(18:1(11E)/18:3(6Z,9Z,12Z))", "PC(18:1(11E)/18:3(9Z,12Z,15Z))", "PC(18:1(11Z)/18:3(6Z,9Z,12Z))", "PC(18:1(11Z)/18:3(9Z,12Z,15Z))", "PC(18:2(9Z,11E)/18:2(9Z,11E))", "PC(18:2(9Z,12Z)/18:2(9Z,11E))", "PC(18:2(9Z,12Z)/18:2(9Z,12Z))", "PC(18:3(6Z,9Z,12Z)/18:1(6Z))", "PC(18:3(6Z,9Z,12Z)/18:1(9Z))", "PC(18:3(6Z,9Z,12Z)/18:1(11E))", "PC(18:3(6Z,9Z,12Z)/18:1(11Z))", "PC(18:3(9Z,12Z,15Z)/18:1(6Z))", "PC(18:3(9Z,12Z,15Z)/18:1(9Z))", "PC(18:3(9Z,12Z,15Z)/18:1(11E))", "PC(18:3(9Z,12Z,15Z)/18:1(11Z))", "PC(18:4(6Z,9Z,12Z,15Z)/18:0)", "PC(20:2(11Z,14Z)/16:2(9Z,12Z))", "PC(20:3(5Z,8Z,11Z)/16:1(9Z))", "PC(20:3(8Z,11Z,14Z)/16:1(6Z))", "PC(20:3(8Z,11Z,14Z)/16:1(9Z))", "PC(20:3(11Z,14Z,17Z)/16:1(9Z))", "PC(20:4(5Z,8Z,11Z,14Z)/16:0)", "PC(20:4(8Z,11Z,14Z,17Z)/16:0)", "PC(22:4(7Z,10Z,13Z,16Z)/14:0)", "PC(24:4(9Z,12Z,15Z,18Z)/12:0)", "PC(26:4(11Z,14Z,17Z,20Z)/10:0)", "PC(28:4(13Z,16Z,19Z,22Z)/8:0)", "PC(30:4(15Z,18Z,21Z,24Z)/6:0)", "PC(32:4(17Z,20Z,23Z,26Z)/4:0)", "PC(34:4(19Z,22Z,25Z,28Z)/2:0)", "PE(13:0/26:4(11Z,14Z,17Z,20Z))", "PE(15:0/24:4(9Z,12Z,15Z,18Z))", "PE(17:0/22:4(7Z,10Z,13Z,16Z))", "PE(18:4(6Z,9Z,12Z,15Z)/21:0)", "PE(19:0/20:4(8Z,11Z,14Z,17Z))", "PE(20:4(5Z,8Z,11Z,14Z)/19:0)", "PE(22:4(7Z,10Z,13Z,16Z)/17:0)", "PE(24:4(9Z,12Z,15Z,18Z)/15:0)", "PE(26:4(11Z,14Z,17Z,20Z)/13:0)", "PE(36:4(21Z,24Z,27Z,30Z)/3:0)", "PE-NMe2(15:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe2(22:4(7Z,10Z,13Z,16Z)/15:0)", "PE-NMe(16:0/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(18:0/20:4(5Z,8Z,11Z,14Z))", "PE-NMe(18:0/20:4(8Z,11Z,14Z,17Z))", "PE-NMe(18:1(9Z)/20:3(5Z,8Z,11Z))", "PE-NMe(18:1(9Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:1(11Z)/20:3(5Z,8Z,11Z))", "PE-NMe(18:1(11Z)/20:3(8Z,11Z,14Z))", "PE-NMe(18:2(9Z,12Z)/20:2(11Z,14Z))", "PE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z))", "PE-NMe(18:3(9Z,12Z,15Z)/20:1(11Z))", "PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:0)", "PE-NMe(20:0/18:4(6Z,9Z,12Z,15Z))", "PE-NMe(20:1(11Z)/18:3(6Z,9Z,12Z))", "PE-NMe(20:1(11Z)/18:3(9Z,12Z,15Z))", "PE-NMe(20:2(11Z,14Z)/18:2(9Z,12Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:1(9Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:1(11Z))", "PE-NMe(20:3(8Z,11Z,14Z)/18:1(9Z))", "PE-NMe(20:3(8Z,11Z,14Z)/18:1(11Z))", "PE-NMe(20:4(5Z,8Z,11Z,14Z)/18:0)", "PE-NMe(20:4(8Z,11Z,14Z,17Z)/18:0)", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/16:0)"] | ["HMDB0007889", "HMDB0007982", "HMDB0007983", "HMDB0008013", "HMDB0008014", "HMDB0008042", "HMDB0008073", "HMDB0008074", "HMDB0008106", "HMDB0008107", "HMDB0008138", "HMDB0008169", "HMDB0008170", "HMDB0008202", "HMDB0008203", "HMDB0008234", "HMDB0008365", "HMDB0008398", "HMDB0008429", "HMDB0008462", "HMDB0008623", "HMDB0113055", "HMDB0113098", "HMDB0113099", "HMDB0113123", "HMDB0113124", "HMDB0113150", "HMDB0113151", "HMDB0113178", "HMDB0113205", "HMDB0113234", "HMDB0113262", "HMDB0113290", "HMDB0113317", "HMDB0113318", "HMDB0113345", "HMDB0113372", "HMDB0113373", "HMDB0113400", "HMDB0113401", "HMDB0113427", "HMDB0113455", "HMDB0113595", "HMDB0113934", "HMDB0114497", "SLM:000000793", "SLM:000008038", "SLM:000008050", "SLM:000008295", "SLM:000008369", "SLM:000008446", "SLM:000008591", "SLM:000008603", "SLM:000009018", "SLM:000009488", "SLM:000009795", "SLM:000010110", "SLM:000010992", "SLM:000011003", "SLM:000011042", "SLM:000011056", "SLM:000011086", "SLM:000011127", "SLM:000011210", "SLM:000011392", "SLM:000011620", "SLM:000011674", "SLM:000011687", "SLM:000011931", "SLM:000011951", "SLM:000011958", "SLM:000011991", "SLM:000012156", "SLM:000012304", "SLM:000012316", "SLM:000012342", "SLM:000012469", "SLM:000012526", "SLM:000012601", "SLM:000012865", "SLM:000013252", "SLM:000013296", "SLM:000013950", "SLM:000030501", "SLM:000030658", "SLM:000030732", "SLM:000031258", "SLM:000031725", "SLM:000032703", "SLM:000033172", "SLM:000033404", "SLM:000033800", "SLM:000034361", "SLM:000035834", "SLM:000036154"] | C44H80NO8P+Na (PC(2:0/34:4(19Z,22Z,25Z,2...) |
| 16 | C44H84NO8P+Na | -55.734936 | -568.386780 | 0.000000 | 0.000000 | 55.734936 | True | 300.000000 | ["1,2-dioleoyl-sn-glycero-3-phosphocholine", "PC(14:0/22:2(13Z,16Z))", "PC(14:1(9Z)/22:1(13Z))", "PC(16:0/20:2(11Z,14Z))", "PC(16:1(6Z)/20:1(11Z))", "PC(16:1(9Z)/20:1(11Z))", "PC(16:2(9Z,12Z)/20:0)", "PC(18:0/18:2(9Z,11E))", "PC(18:0/18:2(9Z,12Z))", "PC(18:1(6Z)/18:1(6Z))", "PC(18:1(6Z)/18:1(9Z))", "PC(18:1(6Z)/18:1(11E))", "PC(18:1(6Z)/18:1(11Z))", "PC(18:1(9Z)/18:1(6Z))", "PC(18:1(9Z)/18:1(9Z))", "PC(18:1(9Z)/18:1(11E))", "PC(18:1(9Z)/18:1(11Z))", "PC(18:1(11E)/18:1(6Z))", "PC(18:1(11E)/18:1(9Z))", "PC(18:1(11E)/18:1(11E))", "PC(18:1(11E)/18:1(11Z))", "PC(18:1(11Z)/18:1(6Z))", "PC(18:1(11Z)/18:1(9Z))", "PC(18:1(11Z)/18:1(11E))", "PC(18:1(11Z)/18:1(11Z))", "PC(18:2(9Z,11E)/18:0)", "PC(18:2(9Z,12Z)/18:0)", "PC(20:0/16:2(9Z,12Z))", "PC(20:1(11Z)/16:1(6Z))", "PC(20:1(11Z)/16:1(9Z))", "PC(20:2(11Z,14Z)/16:0)", "PC(22:1(13Z)/14:1(9Z))", "PC(22:2(13Z,16Z)/14:0)", "PE(17:0/22:2(13Z,16Z))", "PE(18:2(9Z,11E)/21:0)", "PE(18:2(9Z,12Z)/21:0)", "PE(19:0/20:2(11Z,14Z))", "PE(20:2(11Z,14Z)/19:0)", "PE(21:0/18:2(9Z,11E))", "PE(21:0/18:2(9Z,12Z))", "PE(22:2(13Z,16Z)/17:0)", "PE-NMe2(15:0/22:2(13Z,16Z))", "PE-NMe2(22:2(13Z,16Z)/15:0)", "PE-NMe(14:1(9Z)/24:1(15Z))", "PE-NMe(16:0/22:2(13Z,16Z))", "PE-NMe(16:1(9Z)/22:1(13Z))", "PE-NMe(18:0/20:2(11Z,14Z))", "PE-NMe(18:1(9Z)/20:1(11Z))", "PE-NMe(18:1(11Z)/20:1(11Z))", "PE-NMe(18:2(9Z,12Z)/20:0)", "PE-NMe(20:0/18:2(9Z,12Z))", "PE-NMe(20:1(11Z)/18:1(9Z))", "PE-NMe(20:1(11Z)/18:1(11Z))", "PE-NMe(20:2(11Z,14Z)/18:0)", "PE-NMe(22:1(13Z)/16:1(9Z))", "PE-NMe(22:2(13Z,16Z)/16:0)", "PE-NMe(24:1(15Z)/14:1(9Z))"] | ["HMDB0000593", "HMDB0007888", "HMDB0007920", "HMDB0007979", "HMDB0008011", "HMDB0008039", "HMDB0008070", "HMDB0008071", "HMDB0008103", "HMDB0008135", "HMDB0008299", "HMDB0008331", "HMDB0008559", "HMDB0008590", "HMDB0062690", "HMDB0112977", "HMDB0113054", "HMDB0113076", "HMDB0113095", "HMDB0113121", "HMDB0113148", "HMDB0113176", "HMDB0113287", "HMDB0113314", "HMDB0113315", "HMDB0113342", "HMDB0113539", "HMDB0113566", "HMDB0113729", "HMDB0113933", "HMDB0114468", "SLM:000000798", "SLM:000008007", "SLM:000008040", "SLM:000008054", "SLM:000008460", "SLM:000008513", "SLM:000008527", "SLM:000008554", "SLM:000008593", "SLM:000008607", "SLM:000009101", "SLM:000009161", "SLM:000011088", "SLM:000011161", "SLM:000011168", "SLM:000011214", "SLM:000011782", "SLM:000012090", "SLM:000012177", "SLM:000012194", "SLM:000012267", "SLM:000012274", "SLM:000012306", "SLM:000012357", "SLM:000012422", "SLM:000012429", "SLM:000012462", "SLM:000012945", "SLM:000013214", "SLM:000013562", "SLM:000013567", "SLM:000013921", "SLM:000030881", "SLM:000031462", "SLM:000031509", "SLM:000031697", "SLM:000034194", "SLM:000034589", "SLM:000035445", "SLM:000035450", "SLM:000035490", "SLM:000035794"] | C44H84NO8P+Na (1,2-dioleoyl-sn-glycero-3...) |
| 17 | C34H66NO10P+NH4 | -55.722763 | -175.966003 | 0.000000 | 0.000000 | 55.722763 | True | 300.000000 | ["PS(2:0/26:0)", "PS(4:0/24:0)", "PS(6:0/22:0)", "PS(8:0/20:0)", "PS(10:0/18:0)", "PS(12:0/16:0)", "PS(13:0/15:0)", "PS(14:0/14:0)", "PS(15:0/13:0)", "PS(16:0/12:0)", "PS(18:0/10:0)", "PS(20:0/8:0)", "PS(22:0/6:0)", "PS(24:0/4:0)", "PS(26:0/2:0)"] | ["HMDB0012330", "SLM:000001588", "SLM:000002219", "SLM:000005407", "SLM:000005470", "SLM:000005548", "SLM:000005616", "SLM:000005685", "SLM:000005755", "SLM:000005830", "SLM:000005891", "SLM:000005966", "SLM:000006036", "SLM:000006177", "SLM:000006251", "SLM:000006389", "SLM:000006654", "SLM:000006727", "SLM:000007575", "SLM:000007649", "SLM:000007695", "SLM:000007756"] | C34H66NO10P+NH4 (PS(2:0/26:0)) |
| 18 | C42H83O7P+NH4 | -50.307144 | -133.788925 | 0.000000 | 0.000000 | 50.307144 | True | 300.000000 | ["PA(O-13:0/26:1(17Z))", "PA(O-15:0/24:1(15Z))", "PA(O-17:0/22:1(13Z))", "PA(O-18:1(9Z)/21:0)", "PA(O-18:1(11Z)/21:0)", "PA(O-18:1(13Z)/21:0)", "PA(O-20:1(11Z)/19:0)", "PA(O-22:1(13Z)/17:0)", "PA(P-13:0/26:0)", "PA(P-15:0/24:0)", "PA(P-17:0/22:0)", "PA(P-18:0/21:0)", "PA(P-20:0/19:0)", "PA(P-22:0/17:0)", "PA(P-24:0/15:0)", "PA(P-26:0/13:0)"] | ["SLM:000044913", "SLM:000045037", "SLM:000045112", "SLM:000045149", "SLM:000045226", "SLM:000045273", "SLM:000045352", "SLM:000045384", "SLM:000045592", "SLM:000046514", "SLM:000046763", "SLM:000046989", "SLM:000047186", "SLM:000047233", "SLM:000047317", "SLM:000047331", "SLM:000047406", "SLM:000047632", "SLM:000047660", "SLM:000047721"] | C42H83O7P+NH4 (PA(O-13:0/26:1(17Z))) |
| 19 | C42H86NO7P+H | -50.307144 | -133.788925 | 0.000000 | 0.000000 | 50.307144 | True | 300.000000 | ["PC(O-13:0/21:0)", "PC(O-14:0/20:0)", "PC(O-15:0/19:0)", "PC(O-16:0/18:0)", "PC(O-17:0/17:0)", "PC(O-18:0/16:0)", "PC(O-20:0/14:0)", "PC(O-22:0/12:0)", "PC(O-24:0/10:0)", "PC(O-26:0/8:0)", "PC(O-28:0/6:0)", "PC(O-30:0/4:0)", "PC(o-16:0/18:0)", "PE(O-13:0/24:0)", "PE(O-15:0/22:0)", "PE(O-16:0/21:0)", "PE(O-17:0/20:0)", "PE(O-18:0/19:0)", "PE(O-20:0/17:0)", "PE(O-22:0/15:0)", "PE(O-24:0/13:0)"] | ["HMDB0013405", "SLM:000000702", "SLM:000027211", "SLM:000027456", "SLM:000027645", "SLM:000027692", "SLM:000027929", "SLM:000028023", "SLM:000028099", "SLM:000028176", "SLM:000028253", "SLM:000028403", "SLM:000028486", "SLM:000028562", "SLM:000028658", "SLM:000028884", "SLM:000029126", "SLM:000029315", "SLM:000029376", "SLM:000029401", "SLM:000029448", "SLM:000029607", "SLM:000029772", "SLM:000029786", "SLM:000029861"] | C42H86NO7P+H (PC(O-13:0/21:0)) |
| 20 | C47H83NO4+Na | -50.272930 | -133.745972 | 0.000000 | 0.000000 | 50.272930 | True | 300.000000 | ["Cer(iso-t17:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))"] | ["SLM:000396360"] | C47H83NO4+Na (Cer(iso-t17:0/30:6(12Z,15...) |
| 21 | C25H47O8P+NH4 | -47.350784 | -112.442902 | 0.000000 | 0.000000 | 47.350784 | True | 300.000000 | ["PA(2:0/20:1(11Z))", "PA(4:0/18:1(6Z))", "PA(4:0/18:1(9Z))", "PA(4:0/18:1(11E))", "PA(4:0/18:1(11Z))", "PA(6:0/16:1(6Z))", "PA(6:0/16:1(9Z))", "PA(8:0/14:1(9Z))", "PA(14:1(9Z)/8:0)", "PA(16:1(6Z)/6:0)", "PA(16:1(9Z)/6:0)", "PA(18:1(6Z)/4:0)", "PA(18:1(9Z)/4:0)", "PA(18:1(11E)/4:0)", "PA(18:1(11Z)/4:0)", "PA(20:1(11Z)/2:0)"] | ["SLM:000021073", "SLM:000021546", "SLM:000021626", "SLM:000024161", "SLM:000024231", "SLM:000025265", "SLM:000025331", "SLM:000025416", "SLM:000025509", "SLM:000025580", "SLM:000025587", "SLM:000025620", "SLM:000025634", "SLM:000026322", "SLM:000026336", "SLM:000026652"] | C25H47O8P+NH4 (PA(2:0/20:1(11Z))) |
| 22 | C25H50NO8P+H | -47.350784 | -112.442902 | 0.000000 | 0.000000 | 47.350784 | True | 300.000000 | ["PC(2:0/15:0)", "PC(3:0/14:0)", "PC(4:0/13:0)", "PC(13:0/4:0)", "PC(14:0/3:0)", "PC(15:0/2:0)", "PE(2:0/18:0)", "PE(3:0/17:0)", "PE(4:0/16:0)", "PE(6:0/14:0)", "PE(8:0/12:0)", "PE(10:0/10:0)", "PE(12:0/8:0)", "PE(14:0/6:0)", "PE(16:0/4:0)", "PE(17:0/3:0)", "PE(18:0/2:0)"] | ["SLM:000008136", "SLM:000008846", "SLM:000012510", "SLM:000012570", "SLM:000012580", "SLM:000012654", "SLM:000013727", "SLM:000013823", "SLM:000013979", "SLM:000014122", "SLM:000031755", "SLM:000034902", "SLM:000034992", "SLM:000035067", "SLM:000035309", "SLM:000035548", "SLM:000035688", "SLM:000035783", "SLM:000036003", "SLM:000036086", "SLM:000036200", "SLM:000036247", "SLM:000036408"] | C25H50NO8P+H (PC(2:0/15:0)) |
| 23 | C44H82NO8P+Na | -47.025166 | -153.507385 | 0.000000 | 0.000000 | 47.025166 | True | 300.000000 | ["PC(14:0/22:3(10Z,13Z,16Z))", "PC(14:1(9Z)/22:2(13Z,16Z))", "PC(16:0/20:3(5Z,8Z,11Z))", "PC(16:0/20:3(8Z,11Z,14Z))", "PC(16:0/20:3(11Z,14Z,17Z))", "PC(16:1(6Z)/20:2(11Z,14Z))", "PC(16:1(9Z)/20:2(11Z,14Z))", "PC(16:2(9Z,12Z)/20:1(11Z))", "PC(18:0/18:3(6Z,9Z,12Z))", "PC(18:0/18:3(9Z,12Z,15Z))", "PC(18:1(6Z)/18:2(9Z,11E))", "PC(18:1(6Z)/18:2(9Z,12Z))", "PC(18:1(9Z)/18:2(9Z,11E))", "PC(18:1(9Z)/18:2(9Z,12Z))", "PC(18:1(11E)/18:2(9Z,11E))", "PC(18:1(11E)/18:2(9Z,12Z))", "PC(18:1(11Z)/18:2(9Z,11E))", "PC(18:1(11Z)/18:2(9Z,12Z))", "PC(18:2(9Z,11E)/18:1(6Z))", "PC(18:2(9Z,11E)/18:1(9Z))", "PC(18:2(9Z,11E)/18:1(11E))", "PC(18:2(9Z,11E)/18:1(11Z))", "PC(18:2(9Z,12Z)/18:1(6Z))", "PC(18:2(9Z,12Z)/18:1(9Z))", "PC(18:2(9Z,12Z)/18:1(11E))", "PC(18:2(9Z,12Z)/18:1(11Z))", "PC(18:3(6Z,9Z,12Z)/18:0)", "PC(18:3(9Z,12Z,15Z)/18:0)", "PC(20:1(11Z)/16:2(9Z,12Z))", "PC(20:2(11Z,14Z)/16:1(6Z))", "PC(20:2(11Z,14Z)/16:1(9Z))", "PC(20:3(5Z,8Z,11Z)/16:0)", "PC(20:3(8Z,11Z,14Z)/16:0)", "PC(20:3(11Z,14Z,17Z)/16:0)", "PC(22:2(13Z,16Z)/14:1(9Z))", "PC(22:3(10Z,13Z,16Z)/14:0)", "PE(17:0/22:3(10Z,13Z,16Z))", "PE(18:3(6Z,9Z,12Z)/21:0)", "PE(18:3(9Z,12Z,15Z)/21:0)", "PE(19:0/20:3(8Z,11Z,14Z))", "PE(19:0/20:3(11Z,14Z,17Z))", "PE(20:3(8Z,11Z,14Z)/19:0)", "PE(20:3(11Z,14Z,17Z)/19:0)", "PE(21:0/18:3(6Z,9Z,12Z))", "PE(21:0/18:3(9Z,12Z,15Z))", "PE(22:3(10Z,13Z,16Z)/17:0)", "PE-NMe(16:1(9Z)/22:2(13Z,16Z))", "PE-NMe(18:0/20:3(5Z,8Z,11Z))", "PE-NMe(18:0/20:3(8Z,11Z,14Z))", "PE-NMe(18:1(9Z)/20:2(11Z,14Z))", "PE-NMe(18:1(11Z)/20:2(11Z,14Z))", "PE-NMe(18:2(9Z,12Z)/20:1(11Z))", "PE-NMe(18:3(6Z,9Z,12Z)/20:0)", "PE-NMe(18:3(9Z,12Z,15Z)/20:0)", "PE-NMe(20:0/18:3(6Z,9Z,12Z))", "PE-NMe(20:0/18:3(9Z,12Z,15Z))", "PE-NMe(20:1(11Z)/18:2(9Z,12Z))", "PE-NMe(20:2(11Z,14Z)/18:1(9Z))", "PE-NMe(20:2(11Z,14Z)/18:1(11Z))", "PE-NMe(20:3(5Z,8Z,11Z)/18:0)", "PE-NMe(20:3(8Z,11Z,14Z)/18:0)", "PE-NMe(22:2(13Z,16Z)/16:1(9Z))"] | ["HMDB0007921", "HMDB0007980", "HMDB0007981", "HMDB0008012", "HMDB0008040", "HMDB0008041", "HMDB0008072", "HMDB0008105", "HMDB0008136", "HMDB0008137", "HMDB0008168", "HMDB0008201", "HMDB0008332", "HMDB0008364", "HMDB0008397", "HMDB0008591", "HMDB0113077", "HMDB0113096", "HMDB0113097", "HMDB0113122", "HMDB0113149", "HMDB0113177", "HMDB0113204", "HMDB0113233", "HMDB0113288", "HMDB0113289", "HMDB0113316", "HMDB0113343", "HMDB0113344", "HMDB0113371", "HMDB0113399", "HMDB0113567", "SLM:000000799", "SLM:000007995", "SLM:000008047", "SLM:000008052", "SLM:000008381", "SLM:000008434", "SLM:000008448", "SLM:000008525", "SLM:000008600", "SLM:000008605", "SLM:000009082", "SLM:000011071", "SLM:000011087", "SLM:000011207", "SLM:000011212", "SLM:000011699", "SLM:000011714", "SLM:000011721", "SLM:000011754", "SLM:000011767", "SLM:000012019", "SLM:000012036", "SLM:000012109", "SLM:000012116", "SLM:000012149", "SLM:000012162", "SLM:000012193", "SLM:000012313", "SLM:000012356", "SLM:000013213", "SLM:000013253", "SLM:000013553", "SLM:000013565", "SLM:000013907", "SLM:000030356", "SLM:000030403", "SLM:000030802", "SLM:000031683", "SLM:000033483", "SLM:000034120", "SLM:000034431", "SLM:000035436", "SLM:000035448", "SLM:000035476", "SLM:000035793", "SLM:000035835"] | C44H82NO8P+Na (PC(14:0/22:3(10Z,13Z,16Z)...) |
| 25 | C46H83O8P+NH4 | -45.617237 | -159.668060 | 0.000000 | 0.000000 | 45.617237 | True | 300.000000 | ["PA(13:0/30:4(15Z,18Z,21Z,24Z))", "PA(15:0/28:4(13Z,16Z,19Z,22Z))", "PA(17:0/26:4(11Z,14Z,17Z,20Z))", "PA(19:0/24:4(9Z,12Z,15Z,18Z))", "PA(21:0/22:4(7Z,10Z,13Z,16Z))", "PA(22:4(7Z,10Z,13Z,16Z)/21:0)", "PA(24:4(9Z,12Z,15Z,18Z)/19:0)", "PA(26:4(11Z,14Z,17Z,20Z)/17:0)", "PA(28:4(13Z,16Z,19Z,22Z)/15:0)", "PA(30:4(15Z,18Z,21Z,24Z)/13:0)"] | ["SLM:000021113", "SLM:000021269", "SLM:000021316", "SLM:000021818", "SLM:000021975", "SLM:000022035", "SLM:000022284", "SLM:000022440", "SLM:000022514", "SLM:000024394", "SLM:000024952", "SLM:000026016", "SLM:000026056", "SLM:000026411", "SLM:000026688", "SLM:000027088"] | C46H83O8P+NH4 (PA(13:0/30:4(15Z,18Z,21Z,...) |
| 24 | C46H86NO8P+H | -45.617237 | -159.668060 | 0.000000 | 0.000000 | 45.617237 | True | 300.000000 | ["PC(16:0/22:3(10Z,13Z,16Z))", "PC(16:1(6Z)/22:2(13Z,16Z))", "PC(16:1(9Z)/22:2(13Z,16Z))", "PC(16:2(9Z,12Z)/22:1(13Z))", "PC(18:0/20:3(5Z,8Z,11Z))", "PC(18:0/20:3(8Z,11Z,14Z))", "PC(18:0/20:3(11Z,14Z,17Z))", "PC(18:1(6Z)/20:2(11Z,14Z))", "PC(18:1(9Z)/20:2(11Z,14Z))", "PC(18:1(11E)/20:2(11Z,14Z))", "PC(18:1(11Z)/20:2(11Z,14Z))", "PC(18:2(9Z,11E)/20:1(11Z))", "PC(18:2(9Z,12Z)/20:1(11Z))", "PC(18:3(6Z,9Z,12Z)/20:0)", "PC(18:3(9Z,12Z,15Z)/20:0)", "PC(20:0/18:3(6Z,9Z,12Z))", "PC(20:0/18:3(9Z,12Z,15Z))", "PC(20:1(11Z)/18:2(9Z,11E))", "PC(20:1(11Z)/18:2(9Z,12Z))", "PC(20:2(11Z,14Z)/18:1(6Z))", "PC(20:2(11Z,14Z)/18:1(9Z))", "PC(20:2(11Z,14Z)/18:1(11E))", "PC(20:2(11Z,14Z)/18:1(11Z))", "PC(20:3(5Z,8Z,11Z)/18:0)", "PC(20:3(8Z,11Z,14Z)/18:0)", "PC(20:3(11Z,14Z,17Z)/18:0)", "PC(22:1(13Z)/16:2(9Z,12Z))", "PC(22:2(13Z,16Z)/16:1(6Z))", "PC(22:2(13Z,16Z)/16:1(9Z))", "PC(22:3(10Z,13Z,16Z)/16:0)", "PE(19:0/22:3(10Z,13Z,16Z))", "PE(20:3(8Z,11Z,14Z)/21:0)", "PE(20:3(11Z,14Z,17Z)/21:0)", "PE(21:0/20:3(8Z,11Z,14Z))", "PE(21:0/20:3(11Z,14Z,17Z))", "PE(22:3(10Z,13Z,16Z)/19:0)", "PE-NMe(18:1(9Z)/22:2(13Z,16Z))", "PE-NMe(18:1(11Z)/22:2(13Z,16Z))", "PE-NMe(18:2(9Z,12Z)/22:1(13Z))", "PE-NMe(18:3(6Z,9Z,12Z)/22:0)", "PE-NMe(18:3(9Z,12Z,15Z)/22:0)", "PE-NMe(20:0/20:3(5Z,8Z,11Z))", "PE-NMe(20:0/20:3(8Z,11Z,14Z))", "PE-NMe(20:1(11Z)/20:2(11Z,14Z))", "PE-NMe(20:2(11Z,14Z)/20:1(11Z))", "PE-NMe(20:3(5Z,8Z,11Z)/20:0)", "PE-NMe(20:3(8Z,11Z,14Z)/20:0)", "PE-NMe(22:0/18:3(6Z,9Z,12Z))", "PE-NMe(22:0/18:3(9Z,12Z,15Z))", "PE-NMe(22:1(13Z)/18:2(9Z,12Z))", "PE-NMe(22:2(13Z,16Z)/18:1(9Z))", "PE-NMe(22:2(13Z,16Z)/18:1(11Z))"] | ["HMDB0008020", "HMDB0008046", "HMDB0008047", "HMDB0008078", "HMDB0008111", "HMDB0008144", "HMDB0008175", "HMDB0008208", "HMDB0008271", "HMDB0008272", "HMDB0008303", "HMDB0008334", "HMDB0008335", "HMDB0008366", "HMDB0008399", "HMDB0008594", "HMDB0113130", "HMDB0113157", "HMDB0113185", "HMDB0113212", "HMDB0113241", "HMDB0113294", "HMDB0113295", "HMDB0113322", "HMDB0113350", "HMDB0113378", "HMDB0113406", "HMDB0113517", "HMDB0113518", "HMDB0113543", "HMDB0113569", "HMDB0113570", "SLM:000007986", "SLM:000008005", "SLM:000008385", "SLM:000008396", "SLM:000008402", "SLM:000008435", "SLM:000008449", "SLM:000008521", "SLM:000008526", "SLM:000008559", "SLM:000009066", "SLM:000009080", "SLM:000009157", "SLM:000011063", "SLM:000011095", "SLM:000011166", "SLM:000011703", "SLM:000011720", "SLM:000012011", "SLM:000012044", "SLM:000012115", "SLM:000012201", "SLM:000012272", "SLM:000012932", "SLM:000012944", "SLM:000013208", "SLM:000013519", "SLM:000013561", "SLM:000030407", "SLM:000030797", "SLM:000034115", "SLM:000035402", "SLM:000035444", "SLM:000035788"] | C46H86NO8P+H (PC(16:0/22:3(10Z,13Z,16Z)...) |
| 26 | C42H81O10P+NH4 | -42.564529 | -112.544930 | 0.000000 | 0.000000 | 42.564529 | True | 300.000000 | ["Lysobisphosphatidate (10:0/0:0/26:1(17Z)/0:0)", "Lysobisphosphatidate (12:0/0:0/24:1(15Z)/0:0)", "Lysobisphosphatidate (14:0/0:0/22:1(13Z)/0:0)", "Lysobisphosphatidate (16:0/0:0/20:1(11Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(6Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(9Z)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(11E)/0:0)", "Lysobisphosphatidate (18:0/0:0/18:1(11Z)/0:0)", "Lysobisphosphatidate (20:0/0:0/16:1(6Z)/0:0)", "Lysobisphosphatidate (20:0/0:0/16:1(9Z)/0:0)", "Lysobisphosphatidate (22:0/0:0/14:1(9Z)/0:0)", "PG(10:0/26:1(17Z))", "PG(12:0/24:1(15Z))", "PG(14:0/22:1(13Z))", "PG(14:1(9Z)/22:0)", "PG(16:0/20:1(11Z))", "PG(16:1(6Z)/20:0)", "PG(16:1(9Z)/20:0)", "PG(18:0/18:1(6Z))", "PG(18:0/18:1(9Z))", "PG(18:0/18:1(11E))", "PG(18:0/18:1(11Z))", "PG(18:1(6Z)/18:0)", "PG(18:1(9Z)/18:0)", "PG(18:1(11E)/18:0)", "PG(18:1(11Z)/18:0)", "PG(20:0/16:1(6Z))", "PG(20:0/16:1(9Z))", "PG(20:1(11Z)/16:0)", "PG(22:0/14:1(9Z))", "PG(22:1(13Z)/14:0)", "PG(24:1(15Z)/12:0)", "PG(26:1(17Z)/10:0)"] | ["HMDB0010603", "HMDB0010604", "HMDB0010617", "HMDB0010632", "SLM:000000690", "SLM:000036884", "SLM:000037354", "SLM:000037437", "SLM:000037995", "SLM:000038376", "SLM:000038690", "SLM:000039957", "SLM:000040044", "SLM:000041063", "SLM:000041149", "SLM:000041218", "SLM:000041500", "SLM:000041611", "SLM:000041654", "SLM:000041753", "SLM:000041767", "SLM:000042036", "SLM:000042343", "SLM:000042350", "SLM:000042383", "SLM:000042750", "SLM:000482524", "SLM:000482597", "SLM:000482669", "SLM:000482740", "SLM:000482808", "SLM:000482809", "SLM:000482810", "SLM:000482816", "SLM:000482877", "SLM:000482885", "SLM:000482964"] | C42H81O10P+NH4 (Lysobisphosphatidate (10:...) |
| 27 | C48H82NO8P+H | -41.744987 | -112.296555 | 0.000000 | 0.000000 | 41.744987 | True | 300.000000 | ["PC(14:1(9Z)/26:6(8Z,11Z,14Z,17Z,20Z,23Z))", "PC(16:1(6Z)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(16:1(9Z)/24:6(6Z,9Z,12Z,15Z,18Z,21Z))", "PC(16:2(9Z,12Z)/24:5(6Z,9Z,12Z,15Z,18Z))", "PC(16:2(9Z,12Z)/24:5(9Z,12Z,15Z,18Z,21Z))", "PC(18:1(6Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PC(18:2(9Z,11E)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(18:2(9Z,11E)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))", "PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))", "PC(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z))", "PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:3(11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))", "PC(20:3(11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))", "PC(20:4(5Z,8Z,11Z,14Z)/20:3(11Z,14Z,17Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))", "PC(20:4(8Z,11Z,14Z,17Z)/20:3(11Z,14Z,17Z))", "PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))", "PC(22:3(10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))", "PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))", "PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,11E))", "PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,11E))", "PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(6Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11E))", "PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))", "PC(24:5(6Z,9Z,12Z,15Z,18Z)/16:2(9Z,12Z))", "PC(24:5(9Z,12Z,15Z,18Z,21Z)/16:2(9Z,12Z))", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/16:1(6Z))", "PC(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/16:1(9Z))", "PC(26:6(8Z,11Z,14Z,17Z,20Z,23Z)/14:1(9Z))", "PE-NMe(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))", "PE-NMe(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))", "PE-NMe(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))", "PE-NMe(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))", "PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))", "PE-NMe(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))", "PE-NMe(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))", "PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))", "PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))", "PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))"] | ["HMDB0008090", "HMDB0008123", "HMDB0008154", "HMDB0008155", "HMDB0008186", "HMDB0008219", "HMDB0008347", "HMDB0008378", "HMDB0008379", "HMDB0008410", "HMDB0008411", "HMDB0008441", "HMDB0008442", "HMDB0008474", "HMDB0008475", "HMDB0008506", "HMDB0008632", "HMDB0008633", "HMDB0008664", "HMDB0008697", "HMDB0008728", "HMDB0008729", "HMDB0113334", "HMDB0113361", "HMDB0113362", "HMDB0113389", "HMDB0113417", "HMDB0113501", "HMDB0113582", "HMDB0113607", "HMDB0113608", "HMDB0113633", "HMDB0113660", "HMDB0113686", "SLM:000007958", "SLM:000008031", "SLM:000008350", "SLM:000008361", "SLM:000008428", "SLM:000008584", "SLM:000010450", "SLM:000010457", "SLM:000010489", "SLM:000010503", "SLM:000010575", "SLM:000010580", "SLM:000010613", "SLM:000010691", "SLM:000010732", "SLM:000010804", "SLM:000010818", "SLM:000010895", "SLM:000010923", "SLM:000011044", "SLM:000011117", "SLM:000011192", "SLM:000011286", "SLM:000011291", "SLM:000011357", "SLM:000011368", "SLM:000011452", "SLM:000011560", "SLM:000011601", "SLM:000011669", "SLM:000011680", "SLM:000011746", "SLM:000011755", "SLM:000011843", "SLM:000011993", "SLM:000012066", "SLM:000012078", "SLM:000012141", "SLM:000012150", "SLM:000012223", "SLM:000012298", "SLM:000012386"] | C48H82NO8P+H (PC(14:1(9Z)/26:6(8Z,11Z,1...) |
| 29 | C39H81N2O6P+H | -37.815395 | -112.235229 | 0.000000 | 0.000000 | 37.815395 | True | 300.000000 | ["N-hexadecanoylsphinganine-1-phosphocholine", "PE-Cer(d14:0/23:0)", "PE-Cer(d16:0/21:0)", "PE-Cer(d18:0/19:0)", "PE-Cer(d20:0/17:0)", "SM(d14:0/20:0)", "SM(d16:0/18:0)", "SM(d18:0/16:0)", "SM(d20:0/14:0)", "SM(iso-d17:0/17:0)"] | ["HMDB0062665", "SLM:000395865", "SLM:000397057", "SLM:000397689", "SLM:000397937", "SLM:000398124", "SLM:000398171", "SLM:000398262", "SLM:000398570", "SLM:000398684", "SLM:000398731", "SLM:000487564"] | C39H81N2O6P+H (N-hexadecanoylsphinganine...) |
| 28 | C39H78NO6P+NH4 | -37.815395 | -112.235229 | 0.000000 | 0.000000 | 37.815395 | True | 300.000000 | ["CerP(d18:1(4E)/21:0)"] | ["SLM:000395783"] | C39H78NO6P+NH4 (CerP(d18:1(4E)/21:0)) |